727	727	769	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[4a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[4a]-3:C[4a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2{1|C<4>,1|N<3>,3|C<3>}	126.9995	0.013	2	126.9995	0.000	2	128.3917	5.814	3	128.3917	5.814	3	128.3917	5.814	3	127.1395	5.616	6
727	727	769	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[4a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[4a]-3:C[4a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2{1|H<1>,1|N<3>,3|C<3>}	131.1760	0.000	1	131.1760	0.000	1	128.3917	5.814	3	128.3917	5.814	3	128.3917	5.814	3	127.1395	5.616	6
727	727	769	0:SP2_SP2_SP2	C[5a]	C[5a]	C[4a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[4a]-3:C[4a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H)	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2{1|H<1>,1|N<3>,3|C<3>}	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	125.8873	3.521	3	127.1395	5.616	6
727	727	769	0:SP2_SP2_SP2	C[5a]	C[5a]	C[4a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[4a]-3:C[4a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3)	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C[4a](C[5a]C[5a,6a]C[5a])(C[4a]C[4a]O)2{1|C<4>,1|N<3>,3|C<3>}	126.9705	0.049	2	126.9705	0.002	2	126.9705	0.002	2	126.9705	0.002	2	125.8873	3.521	3	127.1395	5.616	6
727	727	769	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[4,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[4,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[4,5a]-3:C[5a]-3:C[4]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H)	C[4,5a](N[4,5a]C[5a,6a]C[4])(C[5a]C[5a,6a]C[6a])(C[4]C[4]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[4,5a](N[4,5a]C[5a,6a]C[4])(C[5a]C[5a,6a]C[6a])(C[4]C[4]HH){2|H<1>,4|C<3>}	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1
727	727	769	6:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	C[4,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[4,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[4,6a]-3:C[4,6a]-3:	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[4,6a,6a](C[5,6a,6a]C[5,6a]2)(C[4,6a]C[6a]P[4])2	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2{1|P<3>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[4,6a,6a](C[5,6a,6a]C[5,6a]2)(C[4,6a]C[6a]P[4])2{2|C<4>,2|H<1>,3|C<3>}	121.2870	0.397	4	121.0828	0.257	12	121.0828	0.257	12	121.0828	0.257	12	121.0828	0.257	12	120.1486	1.821	21
727	727	769	6:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	C[4,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[4,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[4,6a]-3:C[4,6a]-3:	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[4,6a,6a](C[5,6a,6a]C[5,6a]2)(C[4,6a]C[6a]P[4])2	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2{1|P<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[4,6a,6a](C[5,6a,6a]C[5,6a]2)(C[4,6a]C[6a]P[4])2{1|B<4>,2|C<3>,2|H<1>,3|C<4>}	120.5585	0.421	4	121.0828	0.257	12	121.0828	0.257	12	121.0828	0.257	12	121.0828	0.257	12	120.1486	1.821	21
727	727	769	6:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	C[4,6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[4,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[4,6a]-3:C[4,6a]-3:	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	C[4,6a,6a](C[5,6a,6a]C[5,6a]2)(C[4,6a]C[6a]P[4])2	C[5,6a,6a](C[4,6a,6a]C[4,6a]2)(C[5,6a]C[6a]C[5])2{1|P<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[4,6a,6a](C[5,6a,6a]C[5,6a]2)(C[4,6a]C[6a]P[4])2{2|H<1>,3|C<3>,3|C<4>}	121.4030	0.219	4	121.0828	0.257	12	121.0828	0.257	12	121.0828	0.257	12	121.0828	0.257	12	120.1486	1.821	21
727	727	769	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[4,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[4,6a]-3:S[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[4,6a]-3:C[4,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO)	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[4,6a](C[4,6a]C[4,6a]C[5,6a])2(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[5,6a])2(C[5,6a]C[5,6a]S[5]){2|O<1>,2|S<4>,5|C<3>}	120.1635	0.144	2	120.1635	0.021	2	120.1635	0.021	2	119.9745	0.062	4	119.9745	0.062	4	120.1486	1.821	21
727	727	769	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	C[4,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[4,6a]-3:S[5]-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[4,6a]-3:C[4,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H)	C[4,6a](C[4,6a]C[5a,6a]C[4,6a])2(C[5,6a]C[5,6a]S[5])	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[4,6a]C[4,6a]2)(S[5]C[5]OO){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[4,6a](C[4,6a]C[5a,6a]C[4,6a])2(C[5,6a]C[5,6a]S[5]){2|O<1>,2|S<2>,5|C<3>}	119.7855	0.151	2	119.7855	0.023	2	119.7855	0.023	2	119.9745	0.062	4	119.9745	0.062	4	120.1486	1.821	21
727	727	769	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	C[4,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[4,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5,6a]-3:C[5a]-3:	C[4,6a]-3:C[4,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[4,6a]S[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H)	C[4,6a](C[4,6a]C[4,6a]C[5,6a])2(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[4,6a]S[5a])(C[5,6a]C[5,6a]C[5])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|S<4>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[5,6a])2(C[5a,6a]C[5a,6a]S[5a]){2|S<4>,5|C<3>}	118.0665	0.511	2	118.0665	0.261	2	118.0665	0.261	2	117.9505	0.171	4	118.0456	0.174	5	120.1486	1.821	21
727	727	769	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	C[4,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:C[4,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[4,6a]-3:C[4,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[4,6a]S[5a])(C[5a]C[5a]H)	C[4,6a](C[4,6a]C[5a,6a]C[4,6a])2(C[5a,6a]C[5a,6a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6a]C[4,6a]2)(S[5a]C[5a]){1|Si<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[4,6a]S[5a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|S<2>,3|C<3>}	C[4,6a](C[4,6a]C[5a,6a]C[4,6a])2(C[5a,6a]C[5a,6a]S[5a]){2|S<2>,5|C<3>}	117.8345	0.446	2	117.8345	0.199	2	117.8345	0.199	2	117.9505	0.171	4	118.0456	0.174	5	120.1486	1.821	21
727	727	769	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	C[4,6a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[4,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[4,6a]-3:C[4,5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C)	C[4,6a](C[5a,6a]C[5a,6a]N[5a])(C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[4,6a](C[5a,6a]C[5a,6a]N[5a])(C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.4260	0.000	1	118.4260	0.000	1	118.4260	0.000	1	118.4260	0.000	1	118.0456	0.174	5	120.1486	1.821	21
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a,6]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:B-3:	N[5,5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2)	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H)	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	129.2290	0.000	1	129.2290	0.000	1	129.2290	0.000	1	129.1615	0.009	2	129.1615	0.009	2	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a,6]	B	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:B-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H)	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H){2|H<1>,3|C<3>}	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	129.0940	0.000	1	129.0940	0.000	1	129.0940	0.000	1	129.1615	0.009	2	129.1615	0.009	2	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	B	3:4:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-4:B-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H)	B(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2){1|H<1>,2|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|O<2>,3|H<1>}	B(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	128.0920	0.000	1	128.0920	0.000	1	128.0920	0.000	1	128.0920	0.000	1	128.0920	0.000	1	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:2:2:	C[5a]-3:O[5a]-2:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(BOO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(H)	B(C[5a]C[5a]O[5a])(OH)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(BOO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(H){1|C<3>}	B(C[5a]C[5a]O[5a])(OH)2	131.2890	0.000	1	131.2890	0.000	1	131.2890	0.000	1	128.4447	6.130	3	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:2:2:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BOO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])(OH)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BOO){1|B<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|B<3>}	B(C[5a]C[5a]S[5a])(OH)2	127.0225	0.354	2	127.0225	0.126	2	127.0225	0.126	2	128.4447	6.130	3	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:S[5a]-2:B-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:O-2:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]O)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OC)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]O){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H){2|C<3>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OC)	127.7885	1.068	2	127.7885	1.142	2	127.7885	1.142	2	127.7885	1.142	2	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:B-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]2)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(BC[6a]2){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]B)(H){2|C<3>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	128.5830	0.000	1	128.5830	0.000	1	128.5830	0.000	1	129.2293	1.268	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]B)(H){1|C<3>,2|C<4>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	130.0160	0.000	1	130.0160	0.000	1	129.3586	1.459	5	129.2293	1.268	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<2>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	130.0940	0.000	1	129.1943	1.766	4	129.3586	1.459	5	129.2293	1.268	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<3>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	128.6080	1.930	2	129.1943	1.766	4	129.3586	1.459	5	129.2293	1.268	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(BC[6a]2){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|N<3>}	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	129.4670	0.000	1	129.1943	1.766	4	129.3586	1.459	5	129.2293	1.268	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:2:3:	3:3:3:	3:2:2:	C[5a]-3:O[5a]-2:B-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:O-2:O-2:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(BOO)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(CHO)	B(C[5a]C[5a]O[5a])(OH)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(BOO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(CHO){1|H<1>}	B(C[5a]C[5a]O[5a])(OH)2	134.9590	0.000	1	134.9590	0.000	1	134.9590	0.000	1	134.9590	0.000	1	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:2:	3:3:1:	3:3:3:	B-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(H)	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(H){1|Br<1>}	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	133.1355	3.533	2	132.7884	7.649	8	132.7884	7.649	8	132.1219	13.007	10	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:2:	3:3:1:	3:3:3:	B-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(H)	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]B)(H){1|I<1>}	B(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	132.6727	2.854	6	132.7884	7.649	8	132.7884	7.649	8	132.1219	13.007	10	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:2:	3:3:1:	3:3:3:	B-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|C<3>}	B(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	134.2390	0.000	1	129.4560	45.754	2	129.4560	45.754	2	132.1219	13.007	10	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:2:	3:3:1:	3:3:3:	B-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H)	B(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(H){1|H<1>}	B(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	124.6730	0.000	1	129.4560	45.754	2	129.4560	45.754	2	132.1219	13.007	10	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:B-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[6a])(BC[5a]C[5])(S[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2)	B(C[5a]C[5a]S[5a])2(C[5]N[5]2)	C[5a](C[5a]C[5a]C[6a])(BC[5a]C[5])(S[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]B)(C[6a]C[6a]2){2|H<1>,3|C<3>}	B(C[5a]C[5a]S[5a])2(C[5]N[5]2)	131.5590	0.006	2	131.5590	0.000	2	131.5590	0.000	2	131.5590	0.000	2	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:S[5a]-2:C-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CCH)	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(BC[6a]2){1|H<1>}	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CCH){2|H<1>}	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	128.3100	0.000	1	128.3100	0.000	1	128.3100	0.000	1	128.3100	0.000	1	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3){2|C<4>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	129.7050	0.000	1	129.7050	0.000	1	130.5565	1.450	2	130.5565	1.450	2	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	C[5a](C[5a]C[5a]B)(S[5a]C[5a])(CC3){1|Cl<1>,1|C<4>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	131.4080	0.000	1	131.4080	0.000	1	130.5565	1.450	2	130.5565	1.450	2	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	3:2:2:	C[5a]-3:N[5a]-3:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(BOO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(H)	B(C[5a]C[5a]N[5a])(OH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(BOO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(H){1|C<3>,1|H<1>}	B(C[5a]C[5a]N[5a])(OH)2	124.0570	0.218	2	124.0570	0.047	2	124.0570	0.047	2	124.0570	0.047	2	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:B-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2)	C[5a](C[5,5a]N[5,5a,6]C[5,6a])(C[5a]C[5a,6]B)(H)	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,6a])(C[5a]C[5a,6]B)(H){1|C<4>,3|C<3>}	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	125.3200	0.000	1	125.3200	0.000	1	125.3200	0.000	1	121.8017	9.711	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:B-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]B)(H)	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]B)(H){4|C<3>}	B(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)2	125.4980	0.000	1	125.4980	0.000	1	125.4980	0.000	1	121.8017	9.711	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl){1|C<4>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	121.8017	9.711	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	120.4060	0.000	1	120.4060	0.000	1	119.6540	1.131	2	121.8017	9.711	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H){1|C<3>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	118.9020	0.000	1	118.9020	0.000	1	119.6540	1.131	2	121.8017	9.711	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H)	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(BC[6a]2){1|H<1>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]H)(H){1|C<3>}	B(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	122.3290	0.000	1	122.3290	0.000	1	122.3290	0.000	1	121.8017	9.711	6	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:1:	4:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]C[5])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H)	B(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]C[5]){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(H){1|S<2>,2|C<3>}	B(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	128.7080	0.000	1	129.6180	1.656	2	129.6180	1.656	2	129.6180	1.656	2	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	130.5280	0.000	1	129.6180	1.656	2	129.6180	1.656	2	129.6180	1.656	2	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:2:	4:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]C[5])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a])	B(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(BC[6a]C[5]){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]B)(S[5a]C[5a]){2|H<1>,3|C<3>}	B(C[5]C[5]2Fe)(C[5a]C[5a]2)(C[6a]C[6a]2)	128.4050	0.000	1	128.4050	0.000	1	128.4050	0.000	1	128.4050	0.000	1	128.2742	22.131	40	128.3113	20.588	43
727	727	770	0:SP2_SP2_SP2	C[5a]	C[5a]	B	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(CH3){1|C<4>}	B(C[5a]C[5a]2)(C[6a]C[6a]2)2	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	128.2742	22.131	40	128.3113	20.588	43
727	727	778	0:SP2_SP2_SPD5	C[5a]	C[5a,6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a,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[5a]-3:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5a]C[5a,6a]C[5a])	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Si<4>,1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|B<6>}	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(C[5a]C[5a,6a]C[5a]){1|B<6>,1|N<3>,2|C<3>,7|H<1>}	127.8350	0.000	1	127.8350	0.000	1	127.8350	0.000	1	127.8350	0.000	1	127.8350	0.000	1	127.3860	1.085	8
727	727	778	0:SP2_SP2_SPD5	C[5a]	C[5a]	C[3x3,4,3x5,14x6]	5:3:2:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[5a]-3:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5a]C[5a]S[5a])	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H){1|C<3>,4|B<6>}	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(C[5a]C[5a]S[5a]){1|B<6>,2|C<3>,7|H<1>}	127.4800	0.000	1	127.5520	1.027	6	127.5520	1.027	6	127.5520	1.027	6	127.3219	1.227	7	127.3860	1.085	8
727	727	778	0:SP2_SP2_SPD5	C[5a]	C[5a]	C[3x3,4,3x5,14x6]	5:3:2:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[5a]-3:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5a]C[5a]S[5a])	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H){1|C<3>,4|B<6>}	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(C[5a]C[5a]S[5a]){1|B<6>,3|C<3>,6|H<1>}	125.8780	0.000	1	127.5520	1.027	6	127.5520	1.027	6	127.5520	1.027	6	127.3219	1.227	7	127.3860	1.085	8
727	727	778	0:SP2_SP2_SPD5	C[5a]	C[5a]	C[3x3,4,3x5,14x6]	5:3:2:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[5a]-3:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5a]C[5a]S[5a])	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|C<5>,5|B<6>,5|H<1>}	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H){1|C<4>,4|B<6>}	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(C[5a]C[5a]S[5a]){1|B<6>,3|C<3>,6|H<1>}	128.0455	1.097	2	127.5520	1.027	6	127.5520	1.027	6	127.5520	1.027	6	127.3219	1.227	7	127.3860	1.085	8
727	727	778	0:SP2_SP2_SPD5	C[5a]	C[5a]	C[3x3,4,3x5,14x6]	5:3:2:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[5a]-3:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5a]C[5a]S[5a])	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<5>,5|B<6>,5|H<1>}	C[5a](C[5a]C[3x3,4,3x5,14x6]S[5a])(C[5a]C[5a]H)(H){1|C<5>,4|B<6>}	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(C[5a]C[5a]S[5a]){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	127.9315	0.593	2	127.5520	1.027	6	127.5520	1.027	6	127.5520	1.027	6	127.3219	1.227	7	127.3860	1.085	8
727	727	778	0:SP2_SP2_SPD5	C[5a]	C[5a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[5a]-3:	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[3x3,4,3x5,14x6]C[5a,6a])(N[5a]C[5a,6a]Si)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[5a]C[5a,6a]C[5a])	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Si<4>,1|C<5>,2|C<3>,5|B<6>,5|H<1>}	C[5a](C[5a]C[3x3,4,3x5,14x6]C[5a,6a])(N[5a]C[5a,6a]Si)(H){2|C<3>,4|B<6>}	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(C[5a]C[5a,6a]C[5a]){1|B<6>,1|N<3>,2|C<3>,7|H<1>}	125.9410	0.000	1	125.9410	0.000	1	125.9410	0.000	1	125.9410	0.000	1	127.3219	1.227	7	127.3860	1.085	8
727	727	786	0:SP2_SP2_SP3	C[5,5a]	C[5a,6a]	B[5]	3:3:4:	3:3:3:	3:3:4:4:	C[5a,6a]-3:C[5,5a]-3:B[5]-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:N[5,6]-3:C-4:C-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	B[5](C[5,5a]C[5a,6a]C[5,5a])(N[5,6]C[5,6]C[6])(CH3)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[5](C[5,5a]C[5a,6a]C[5,5a])(N[5,6]C[5,6]C[6])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	138.6440	0.000	1	138.6440	0.000	1	138.6440	0.000	1	138.6440	0.000	1	138.6440	0.000	1	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5,5a]	C[5a]	B[5]	3:3:4:	3:3:4:	3:2:1:1:	N[5,5a]-3:C[5a]-3:B[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a]-3:O[5]-2:F-1:F-1:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H)	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF){1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2{1|C<4>,1|O<1>,2|C<3>}	149.0965	0.005	2	149.0965	0.000	2	149.0965	0.000	2	149.0965	0.000	2	144.6352	26.924	4	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5,5a]	C[5a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]S[5a]Si)(H)	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]C[6a]2)(C[5a]C[5a]H){1|Si<4>,6|C<3>}	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]S[5a]Si)(H){1|N<3>,3|C<3>}	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,4|C<4>,7|C<3>}	140.9360	0.000	1	140.9360	0.000	1	140.9360	0.000	1	140.9360	0.000	1	144.6352	26.924	4	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5,5a]	C[5a]	B[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:N[5,6]-3:Br-1:Br-1:	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2)	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]C[5a]S[5a])(C[5a]C[5a]2)	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2){5|C<3>}	C[5a](C[5,5a]C[5,5a]B[5])(C[5a]C[5a]S[5a])(C[5a]C[5a]2){2|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2{1|H<1>,1|S<2>,4|C<3>}	139.4120	0.000	1	139.4120	0.000	1	139.4120	0.000	1	139.4120	0.000	1	144.6352	26.924	4	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a,6a]	B[5,5]	3:4:3:	3:3:3:	3:4:2:2:	C[5a,6a]-3:B[5,5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H)	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	125.4480	0.000	1	125.4480	0.000	1	125.4480	0.000	1	125.4480	0.000	1	125.4480	0.000	1	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	3:4:3:	3:2:3:	3:4:2:2:	C[5a,6a]-3:B[5,5]-4:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a])	C[5a](C[5a]C[5a,6a]B[5,5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5]N[5,5]O[5]2)(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	C[5a](C[5a]C[5a,6a]B[5,5])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<4>,2|H<1>,2|O<2>,4|C<3>}	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	129.7520	0.000	1	129.7520	0.000	1	129.7520	0.000	1	129.7520	0.000	1	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	4:3:2:	3:2:1:	3:4:2:2:	B[5,5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a])	C[5a](C[5a]B[5,5]N[5a])(S[5a]C[5a])(H)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|C<4>}	C[5a](C[5a]B[5,5]N[5a])(S[5a]C[5a])(H){1|N<3>,1|N<4>,2|O<2>}	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	127.3630	0.093	2	127.3630	0.009	2	127.3630	0.009	2	127.3030	0.015	3	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	4:3:2:	3:2:1:	3:4:2:2:	B[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a])	C[5a](C[5a]B[5,5]S[5a])(N[5a]C[5a])(H)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]N[5a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a](C[5a]B[5,5]S[5a])(N[5a]C[5a])(H){1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	127.1830	0.000	1	127.1830	0.000	1	127.1830	0.000	1	127.3030	0.015	3	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	4:3:2:	3:3:1:	3:4:2:2:	B[5,5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]B[5,5]N[5a])(C[5a]N[5a]C)(H)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a]){3|C<3>,4|C<4>}	C[5a](C[5a]B[5,5]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|N<4>,2|O<2>}	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	130.3040	0.000	1	130.3040	0.000	1	130.3040	0.000	1	129.6800	0.451	3	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	4:3:2:	3:3:1:	3:4:2:2:	B[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]C)(H)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,2|C<3>,4|C<4>}	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]C)(H){1|Br<1>,1|N<4>,2|O<2>}	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	129.3680	0.564	2	129.3680	0.318	2	129.3680	0.318	2	129.6800	0.451	3	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	4:3:2:	3:3:4:	3:4:2:2:	B[5,5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,3|C<3>,3|C<4>}	C[5a](C[5a]B[5,5]S[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|N<4>,2|O<2>}	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	132.5310	0.693	2	132.5310	0.480	2	132.5310	0.480	2	132.5310	0.480	2	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	4:3:3:	3:2:4:	4:3:2:2:	B[5,5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:Si-4:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]B[5,5]C[5a])(S[5a]C[5a])(SiC[6a]2O)	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H){1|H<1>,5|C<4>}	C[5a](C[5a]B[5,5]C[5a])(S[5a]C[5a])(SiC[6a]2O){1|N<4>,2|H<1>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2{1|Si<4>,1|C<3>,1|S<2>,9|H<1>}	127.6830	0.000	1	127.6830	0.000	1	127.6830	0.000	1	127.6830	0.000	1	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5,5]	4:3:3:	3:3:1:	4:3:2:2:	B[5,5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	N[5,5]-4:C[5a]-3:O[5]-2:O[5]-2:	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H)	C[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]H)(H)	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]S[5a]Si)(C[5a]C[5a]H){1|H<1>,5|C<4>}	C[5a](C[5a]B[5,5]C[5a])(C[5a]S[5a]H)(H){1|Si<4>,1|N<4>,2|O<2>}	B[5,5](N[5,5]C[5]2C)(C[5a]C[5a]2)(O[5]C[5])2{1|Si<4>,1|C<3>,1|S<2>,9|H<1>}	120.7930	0.000	1	120.7930	0.000	1	120.7930	0.000	1	120.7930	0.000	1	128.5672	10.397	11	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5]	4:3:2:	3:3:1:	3:3:3:3:	B[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	C[5a](B[5]C[5]2N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,7|C<3>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	134.9420	0.000	1	134.9420	0.000	1	134.9420	0.000	1	134.9420	0.000	1	130.5065	14.620	4	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5]	4:3:2:	3:3:1:	3:3:4:2:	B[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-4:O[5]-2:	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5])	C[5a](B[5]C[5a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>}	B[5](C[5a]C[5a]S[5a])2(N[5]C[5]HH)(O[5]C[5]){4|C<3>,6|H<1>}	129.9385	3.557	2	129.9385	12.655	2	129.9385	12.655	2	129.0280	8.815	3	130.5065	14.620	4	132.3285	54.528	21
727	727	786	0:SP2_SP2_SP3	C[5a]	C[5a]	B[5]	4:3:2:	3:3:1:	3:3:4:2:	B[5]-4:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5]-4:O[5]-2:	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H)	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5])	C[5a](B[5]C[6a]N[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]S[5a]B[5])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|O<2>}	B[5](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(N[5]C[5]HH)(O[5]C[5]){4|C<3>,7|H<1>}	127.2070	0.000	1	127.2070	0.000	1	127.2070	0.000	1	129.0280	8.815	3	130.5065	14.620	4	132.3285	54.528	21
727	727	786	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	B[5]	3:3:4:	3:3:2:	3:3:4:4:	C[5a,6a]-3:C[5,5a]-3:B[5]-4:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,5a]-3:N[5,6]-3:C-4:C-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a])	B[5](C[5,5a]C[5a,6a]C[5,5a])(N[5,6]C[5,6]C[6])(CH3)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]S[5a])(B[5]N[5,6]CC){1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	B[5](C[5,5a]C[5a,6a]C[5,5a])(N[5,6]C[5,6]C[6])(CH3)2{1|H<1>,1|S<2>,4|C<3>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	109.3770	2.194	3	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	B[5]	3:4:3:	3:3:2:	3:3:1:1:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,5a]-3:N[5,6]-3:Br-1:Br-1:	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]Br2)(C[5a]C[5a]2){5|C<3>}	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){2|Br<1>,1|H<1>,4|C<3>}	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(Br)2{1|H<1>,1|S<2>,4|C<3>}	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	109.3770	2.194	3	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	B[5]	3:4:3:	3:3:2:	3:3:3:3:	C[5,5a]-3:B[5]-4:C[5a]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,5a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,5a](C[5,5a]C[5,6]S[5a])(B[5]N[5,6]C[6a]2)(C[5a]C[5a]H){1|Si<4>,6|C<3>}	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	B[5](C[5,5a]C[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,4|C<4>,7|C<3>}	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3770	2.194	3	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5,5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a]B[5,5]C[6a])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	116.6150	0.000	1	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a,6a]-3:C[6a,6a]-3:B[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:B[5]-3:P-4:P-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP)	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2)	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP){1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a]C[6a,6a]B[5])(C[5,6a]C[6a]B[5])(C[6a,6a]C[6a]2){2|P<4>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2{6|C<3>}	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	115.2668	18.774	8	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5]	3:3:4:	3:3:3:	3:4:1:1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:N[5]-4:F-1:F-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,4|H<1>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	115.2668	18.774	8	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5]	3:3:4:	3:3:3:	3:4:3:1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:P[5]-4:N-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2550	0.000	1	115.2668	18.774	8	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5]	3:4:3:	3:3:3:	3:4:1:1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5]){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2{1|H<1>,7|C<3>}	113.4550	0.000	1	113.4550	0.000	1	113.4550	0.000	1	113.4550	0.000	1	115.2668	18.774	8	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5]	3:4:3:	3:3:3:	3:4:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,7|C<3>}	119.3690	0.000	1	119.3690	0.000	1	119.3457	0.045	3	119.3457	0.045	3	115.2668	18.774	8	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5]	3:4:3:	3:3:3:	3:4:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){4|H<1>,6|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2{11|C<3>,1|H<1>,4|C<4>}	119.3340	0.297	2	119.3340	0.088	2	119.3457	0.045	3	119.3457	0.045	3	115.2668	18.774	8	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	B[5]	3:4:3:	3:3:3:	3:4:3:4:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:N-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]P[5])(C[6a,6a]C[6a]2){1|N<4>,4|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3){1|H<1>,2|C<4>,9|C<3>}	117.0830	0.000	1	117.0830	0.000	1	117.0830	0.000	1	117.0830	0.000	1	115.2668	18.774	8	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<3>,3|F<1>,4|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N){3|F<1>,8|C<3>}	110.4403	0.325	4	110.4403	0.106	4	110.4403	0.106	4	110.4403	0.106	4	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	109.2400	0.550	2	109.2400	0.303	2	109.2400	0.303	2	109.2360	0.101	4	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	109.2320	0.007	2	109.2320	0.000	2	109.2320	0.000	2	109.2360	0.101	4	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:3:4:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	112.0425	0.929	2	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:3:4:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|F<1>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	112.0425	0.929	2	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:4:3:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	113.1650	0.000	1	113.1650	0.000	1	111.7092	1.085	4	112.6096	0.893	12	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:4:3:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.7500	0.000	1	111.7500	0.000	1	111.7092	1.085	4	112.6096	0.893	12	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:4:3:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	110.9610	0.122	2	110.9610	0.015	2	111.7092	1.085	4	112.6096	0.893	12	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:4:3:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	113.6340	0.054	2	113.6340	0.003	2	112.9922	0.318	6	112.6096	0.893	12	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:4:3:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	112.7870	0.308	3	112.6713	0.117	4	112.9922	0.318	6	112.6096	0.893	12	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:4:3:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	112.3240	0.000	1	112.6713	0.117	4	112.9922	0.318	6	112.6096	0.893	12	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	3:4:3:	3:4:3:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	113.2625	0.023	2	113.2625	0.001	2	113.2625	0.001	2	112.6096	0.893	12	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	4:3:3:	3:3:3:	3:3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6])	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	109.7860	0.136	3	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	4:3:3:	3:3:3:	3:3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6])	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	109.7640	0.519	2	109.7640	0.269	2	109.7640	0.269	2	109.7860	0.136	3	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	4:3:3:	3:3:4:	3:3:3:4:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	4:3:3:	3:4:3:	3:3:2:2:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F)	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]F){1|O<2>,2|C<3>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2{2|H<1>,4|C<3>,4|C<4>}	115.0960	0.095	2	115.0960	0.009	2	115.0960	0.009	2	115.0960	0.009	2	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	4:3:3:	3:4:3:	3:4:4:1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	109.9040	0.000	1	109.9040	0.000	1	110.2655	0.261	2	110.2655	0.261	2	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	4:3:3:	3:4:3:	3:4:4:1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	110.6270	0.000	1	110.6270	0.000	1	110.2655	0.261	2	110.2655	0.261	2	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,5]	4:3:3:	4:3:3:	3:3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<2>,2|F<1>,7|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<2>,2|F<1>,7|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N){3|F<1>,8|C<3>}	115.6660	0.041	2	115.6660	0.002	2	115.6660	0.002	2	115.6660	0.002	2	111.6787	4.341	32	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6,6]	4:3:3:	3:4:3:	3:3:3:2:	B[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6]-3:N[6,6]-3:O[6]-2:	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6])	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,5|C<3>,7|H<1>}	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	3:4:3:	3:3:4:	3:4:2:2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6])	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6]){1|N<4>,1|O<2>,3|H<1>,4|C<3>}	111.8900	0.126	2	111.8900	0.016	2	112.0940	0.885	6	112.0940	0.885	6	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	3:4:3:	3:3:4:	3:4:2:2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2{1|O<2>,2|N<4>,3|H<1>,4|C<3>}	112.6050	1.067	3	112.6050	1.139	3	112.0940	0.885	6	112.0940	0.885	6	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	3:4:3:	3:3:4:	3:4:2:2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2{1|C<4>,2|C<3>,7|H<1>}	110.9690	0.000	1	110.9690	0.000	1	112.0940	0.885	6	112.0940	0.885	6	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:2:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	108.4565	0.319	2	108.4565	0.102	2	108.4565	0.102	2	108.4565	0.102	2	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|N<3>,2|H<1>,8|C<3>}	108.8795	0.009	2	109.1290	0.075	6	109.1290	0.075	6	109.0129	0.135	14	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|O<2>,2|H<1>,8|C<3>}	109.3050	0.382	2	109.1290	0.075	6	109.1290	0.075	6	109.0129	0.135	14	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|S<2>,2|H<1>,8|C<3>}	109.2025	0.175	2	109.1290	0.075	6	109.1290	0.075	6	109.0129	0.135	14	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	108.8935	0.012	2	108.8935	0.000	2	108.8935	0.000	2	109.0129	0.135	14	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	108.9365	0.496	6	108.9365	0.246	6	108.9365	0.246	6	109.0129	0.135	14	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]F){2|N<3>,3|C<3>,3|F<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|F<1>,9|C<3>}	111.6197	0.256	4	111.6197	0.066	4	110.4361	1.089	10	110.4361	1.089	10	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	109.6470	0.232	6	109.6470	0.054	6	110.4361	1.089	10	110.4361	1.089	10	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:4:4:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:P[6]-4:	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	109.6280	0.171	2	109.6280	0.029	2	109.6280	0.029	2	109.6280	0.029	2	109.9786	1.909	34	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:2:3:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:O[5]-2:O-3:O-2:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]O){1|C<3>,1|O<2>,1|O<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:3:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2{1|H<1>,3|C<3>}	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.1884	0.117	7	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:3:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2{2|C<3>,2|H<1>}	108.8410	0.546	2	108.8410	0.298	2	109.1280	0.110	6	109.1884	0.117	7	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:3:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6]){2|C<3>,2|C<4>,3|H<1>}	109.2715	0.043	4	109.2715	0.002	4	109.1280	0.110	6	109.1884	0.117	7	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:3:3:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	121.8332	0.565	4	121.8332	0.319	4	121.8332	0.319	4	121.8332	0.319	4	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a,6a]-3:C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC){5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5]){2|C<4>,3|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2{1|H<1>,5|C<3>}	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	112.0790	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:4:	3:2:1:1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){1|C<3>,4|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	115.0970	0.000	1	115.0970	0.000	1	115.0970	0.000	1	115.0970	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:4:	3:2:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO){1|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|H<1>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2{2|C<3>,3|H<1>}	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:3:4:	3:3:4:	3:4:1:1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH){1|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,6|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	110.7880	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:2:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5])	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2{2|H<1>,4|C<3>}	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	108.9610	0.420	2	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Cl<1>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2{2|H<1>,4|C<3>}	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.9610	0.420	2	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:Br-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br){2|H<1>,8|C<3>}	108.3735	0.045	2	108.3735	0.002	2	108.3735	0.002	2	109.0320	0.304	6	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H){2|H<1>,8|C<3>}	109.4840	0.136	2	109.4840	0.018	2	109.4840	0.018	2	109.0320	0.304	6	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl){4|C<3>,4|H<1>}	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	109.0320	0.304	6	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){4|H<1>,6|C<3>}	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.0320	0.304	6	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP){4|H<1>,6|C<3>}	109.3893	0.572	4	109.3893	0.328	4	109.3893	0.328	4	109.0156	0.182	17	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	108.8494	0.318	9	108.8494	0.101	9	108.8494	0.101	9	109.0156	0.182	17	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,5|C<4>,6|C<3>}	109.4970	0.000	1	109.4970	0.000	1	109.0157	0.105	4	109.0156	0.182	17	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){2|H<1>,4|C<4>,6|C<3>}	108.9220	0.000	1	108.8553	0.004	3	109.0157	0.105	4	109.0156	0.182	17	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){2|H<1>,4|C<4>,6|C<3>}	108.8220	0.020	2	108.8553	0.004	3	109.0157	0.105	4	109.0156	0.182	17	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F){1|N<3>,2|F<1>,6|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2{1|N<3>,5|F<1>,8|C<3>}	111.4550	0.000	1	111.4550	0.000	1	111.2660	0.071	2	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,4|C<4>,7|C<3>}	111.0770	0.000	1	111.0770	0.000	1	111.2660	0.071	2	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	110.1690	0.000	1	110.8653	0.355	12	110.7878	0.404	13	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	110.4655	0.226	2	110.8653	0.355	12	110.7878	0.404	13	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	110.8207	0.365	3	110.8653	0.355	12	110.7878	0.404	13	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	111.1368	0.684	6	110.8653	0.355	12	110.7878	0.404	13	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|C<4>,8|C<3>}	109.8580	0.000	1	109.8580	0.000	1	110.7878	0.404	13	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|N<4>,4|H<1>,9|C<3>}	110.2190	0.640	4	110.2190	0.410	4	110.2190	0.410	4	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,9|C<3>}	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,5|C<4>,6|C<3>}	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,4|C<4>,7|C<3>}	110.0150	0.187	2	110.3413	0.337	3	109.5633	0.611	11	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,5|C<4>,6|C<3>}	110.9940	0.000	1	110.3413	0.337	3	109.5633	0.611	11	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	109.4627	0.508	6	109.2646	0.489	7	109.5633	0.611	11	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|F<1>,6|C<3>}	108.0760	0.000	1	109.2646	0.489	7	109.5633	0.611	11	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]O){2|H<1>,4|F<1>,6|C<3>}	109.3200	0.000	1	109.3200	0.000	1	109.5633	0.611	11	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	110.1210	0.541	7	109.4755	0.985	11	109.5320	0.800	14	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	108.3460	0.154	4	109.4755	0.985	11	109.5320	0.800	14	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	109.7390	0.437	3	109.7390	0.191	3	109.5320	0.800	14	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	111.1670	0.000	1	111.5830	0.346	2	111.5830	0.346	2	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	111.9990	0.000	1	111.5830	0.346	2	111.5830	0.346	2	110.0715	1.034	49	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	108.8987	0.218	3	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:C-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	108.8625	0.654	2	108.8625	0.428	2	108.8625	0.428	2	108.8987	0.218	3	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-4:Br-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br){2|H<1>,4|C<3>}	109.0755	0.234	2	109.0755	0.055	2	109.0755	0.055	2	108.9913	0.067	4	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H){2|H<1>,4|C<3>}	108.9070	0.344	2	108.9070	0.118	2	108.9070	0.118	2	108.9913	0.067	4	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6]){2|C<4>,4|C<3>,4|H<1>}	109.3640	0.297	2	109.3640	0.088	2	109.3640	0.088	2	109.3640	0.088	2	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2{1|H<1>,1|N<3>,4|C<3>}	113.1337	0.161	4	113.1337	0.026	4	113.1337	0.026	4	111.8530	1.700	9	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(CCHH)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(CCHH)2{1|H<1>,1|N<3>,4|C<3>}	111.7750	0.000	1	111.7750	0.000	1	110.8284	0.428	5	111.8530	1.700	9	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CCHH)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CCHH)2{1|H<1>,5|C<3>}	110.4360	0.000	1	110.4360	0.000	1	110.8284	0.428	5	111.8530	1.700	9	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2{1|H<1>,5|C<3>}	110.6437	0.528	3	110.6437	0.279	3	110.8284	0.428	5	111.8530	1.700	9	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:4:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:4:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,2|H<1>,3|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C){10|H<1>,2|C<3>,4|C<4>}	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:2:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|H<1>,2|C<4>,2|F<1>,4|C<3>}	114.7590	0.192	2	114.7590	0.037	2	114.7590	0.037	2	114.7590	0.037	2	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5]){1|H<1>,2|C<4>,4|F<1>,6|C<3>}	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5])	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]P[5]O)	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,8|C<3>}	C[5,6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[6a]B[5])(P[5]C[6a]2N[5]){1|O<2>,2|C<4>,3|H<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]P[5]O){1|H<1>,4|F<1>,8|C<3>}	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	111.2530	0.464	2	111.2530	0.215	2	111.2530	0.215	2	112.8037	7.321	3	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|C<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC){3|H<1>,4|F<1>,6|C<3>}	115.9050	0.000	1	115.9050	0.000	1	115.9050	0.000	1	112.8037	7.321	3	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,2|C<4>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	115.2140	8.993	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|Cl<1>,2|C<3>,2|F<1>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){1|F<1>,2|C<4>,2|H<1>,4|C<3>}	116.6250	0.000	1	116.6080	0.001	2	116.6080	0.001	2	115.2140	8.993	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|Cl<1>,2|C<3>,2|F<1>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){2|C<4>,3|F<1>,4|C<3>}	116.5910	0.000	1	116.6080	0.001	2	116.6080	0.001	2	115.2140	8.993	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:F-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|H<1>,3|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F){2|C<4>,3|F<1>,4|C<3>}	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	115.2140	8.993	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){2|C<3>,2|F<1>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H){2|C<4>,3|F<1>,4|C<3>}	116.6350	0.000	1	116.6350	0.000	1	116.6350	0.000	1	115.2140	8.993	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	115.9560	0.197	2	115.8164	0.046	5	115.8107	0.037	6	115.8107	0.037	6	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	115.7233	0.200	3	115.8164	0.046	5	115.8107	0.037	6	115.8107	0.037	6	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(P[5]C[5]CC){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS){2|C<4>,3|F<1>,4|C<3>}	115.7820	0.000	1	115.7820	0.000	1	115.8107	0.037	6	115.8107	0.037	6	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:4:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	108.9423	0.262	3	108.9423	0.068	3	108.9745	0.050	4	110.4432	10.823	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:4:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	109.0710	0.000	1	109.0710	0.000	1	108.9745	0.050	4	110.4432	10.823	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:4:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	116.3180	0.000	1	116.3180	0.000	1	116.3180	0.000	1	110.4432	10.823	5	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:3:4:	3:4:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|H<1>,7|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,4|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC){10|H<1>,2|C<3>,5|C<4>}	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:4:3:	3:2:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:Cl[5]-2:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:4:3:	3:2:2:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:4:3:	3:3:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:O[5]-3:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2{2|Cl<1>,1|H<1>,2|C<3>}	111.4425	0.103	2	111.4425	0.011	2	111.4425	0.011	2	111.4425	0.011	2	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:4:3:	3:3:2:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:F-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(P[5]C[6a]2O[5])(C[6a]C[6a]F){3|F<1>,6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F){3|F<1>,6|C<3>}	113.9810	0.000	1	113.9810	0.000	1	113.9810	0.000	1	113.9810	0.000	1	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:4:3:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:Cl[5]-2:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5])	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F){2|F<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5]){5|F<1>,8|C<3>}	119.2520	1.277	2	119.2520	1.631	2	119.2520	1.631	2	117.1612	6.453	4	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:4:3:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5]){1|H<1>,6|C<3>,6|C<4>}	115.0705	0.494	2	115.0705	0.244	2	115.0705	0.244	2	117.1612	6.453	4	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	3:4:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C){5|F<1>,8|C<3>}	113.1820	0.535	2	113.1820	0.286	2	113.1820	0.286	2	113.1820	0.286	2	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	3:4:3:	4:3:3:	3:4:2:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H)	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.5220	0.000	2	110.5220	0.000	2	110.5220	0.000	2	110.5220	0.000	2	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){5|H<1>,9|C<3>}	109.1717	0.417	6	109.1717	0.174	6	109.1717	0.174	6	109.6782	0.696	9	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,3|F<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<3>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	110.9180	0.000	1	110.6913	0.039	3	110.6913	0.039	3	109.6782	0.696	9	111.1792	10.031	157	111.1954	9.127	236
727	727	786	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|O<3>,3|F<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<4>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	110.5780	0.042	2	110.6913	0.039	3	110.6913	0.039	3	109.6782	0.696	9	111.1792	10.031	157	111.1954	9.127	236
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5,5a]	Cl	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl){1|C<4>,3|C<3>,4|H<1>}	Cl(C[5a]C[5a,6a]C[5,5a])	126.2070	0.408	3	126.2070	0.166	3	126.2070	0.166	3	126.2070	0.166	3	126.5740	0.255	6	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5,5a]	Cl	3:3:1:	4:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){2|C<3>,3|C<4>,3|H<1>}	Cl(C[5a]C[5a,6a]C[5,5a])	126.7520	0.000	1	126.7520	0.000	1	126.7520	0.000	1	126.9410	0.066	3	126.5740	0.255	6	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5,5a]	Cl	3:3:1:	4:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){2|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){1|C<4>,3|H<1>,4|C<3>}	Cl(C[5a]C[5a,6a]C[5,5a])	127.0355	0.281	2	127.0355	0.079	2	127.0355	0.079	2	126.9410	0.066	3	126.5740	0.255	6	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6]	Cl	3:2:1:	3:3:2:	3:	C[5a,6]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Cl)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6])	Cl(C[5a]C[5a,6]S[5a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(Cl){1|Cl<1>,1|C<4>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]Cl)(O[6]C[6]){1|Cl<1>,1|C<4>,2|H<1>}	Cl(C[5a]C[5a,6]S[5a])	126.3065	0.135	2	126.3065	0.018	2	126.3065	0.018	2	126.3065	0.018	2	125.9547	0.380	3	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6]	Cl	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH)	Cl(C[5a]C[5a,6a]C[5a,6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH){3|C<3>,3|H<1>}	Cl(C[5a]C[5a,6a]C[5a,6])	125.2510	0.000	1	125.2510	0.000	1	125.2510	0.000	1	125.2510	0.000	1	125.9547	0.380	3	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Cl(C[5a]C[5a,6a]N[5a])	126.4900	0.447	5	126.3281	0.230	11	126.5827	0.580	13	126.4795	0.604	15	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5a]C[5a,6a]N[5a])	126.4150	0.447	3	126.3281	0.230	11	126.5827	0.580	13	126.4795	0.604	15	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[5a]C[5a,6a]N[5a])	125.9950	0.000	1	126.3281	0.230	11	126.5827	0.580	13	126.4795	0.604	15	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	Cl(C[5a]C[5a,6a]N[5a])	125.4260	0.000	1	126.3281	0.230	11	126.5827	0.580	13	126.4795	0.604	15	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	Cl(C[5a]C[5a,6a]N[5a])	126.4930	0.000	1	126.3281	0.230	11	126.5827	0.580	13	126.4795	0.604	15	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Cl(C[5a]C[5a,6a]N[5a])	127.9830	0.132	2	127.9830	0.017	2	126.5827	0.580	13	126.4795	0.604	15	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-2:Cl-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	Cl(C[5a]C[5a,6a]N[5a])	125.8085	0.678	2	125.8085	0.460	2	125.8085	0.460	2	126.4795	0.604	15	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5,5a])	124.9970	0.000	1	124.9970	0.000	1	125.2212	0.336	6	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	Cl(C[5a]C[5a,6a]C[5,5a])	125.9730	0.000	1	125.2660	0.405	5	125.2212	0.336	6	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5,5a])	125.7960	0.000	1	125.2660	0.405	5	125.2212	0.336	6	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[5a]C[5a,6a]C[5,5a])	125.1020	0.000	1	125.2660	0.405	5	125.2212	0.336	6	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	Cl(C[5a]C[5a,6a]C[5,5a])	124.3860	0.000	1	125.2660	0.405	5	125.2212	0.336	6	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5,5a])	125.0730	0.000	1	125.2660	0.405	5	125.2212	0.336	6	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5a,6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Cl(C[5a]C[5a,6a]C[5a,6])	125.6990	0.000	1	125.6990	0.000	1	125.6990	0.000	1	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Cl(C[5a]C[5a,6a]2)	122.2810	0.000	1	122.2810	0.000	1	122.2810	0.000	1	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C)	Cl(C[5a]C[5a,6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C){2|H<1>,3|C<3>}	Cl(C[5a]C[5a,6a]2)	128.7280	0.000	1	128.7280	0.000	1	128.7280	0.000	1	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5a])	125.2540	0.539	2	125.2540	0.290	2	125.2540	0.290	2	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5a])	123.0390	0.000	1	123.0390	0.000	1	123.2380	14.056	12	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	Cl(C[5a]C[5a,6a]C[5a])	125.7360	0.197	2	128.0197	15.665	3	123.2380	14.056	12	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5a])	132.5870	0.000	1	128.0197	15.665	3	123.2380	14.056	12	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(Cl){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5a])	125.9980	0.000	1	125.9980	0.000	1	123.2380	14.056	12	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	121.5250	1.055	2	121.5250	1.113	2	123.2380	14.056	12	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	Cl(C[5a]C[5a,6a]C[5a])	120.5420	0.963	5	120.5420	0.927	5	123.2380	14.056	12	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,3|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	128.5600	0.000	1	128.5600	0.000	1	128.5600	0.000	1	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5a]C[5a,6a]N[5a])	128.7310	0.000	1	128.7310	0.000	1	128.7310	0.000	1	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl)	Cl(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl){3|C<3>}	Cl(C[5a]C[5a,6a]N[5a])	128.5950	0.000	1	128.5950	0.000	1	128.5950	0.000	1	124.7417	10.153	26	125.3775	7.275	41	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:2:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(N[5a]C[5a])(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(Cl){1|N<3>}	C[5a](C[5a]S[5a]Cl)(N[5a]C[5a])(H){1|N<3>}	Cl(C[5a]C[5a]S[5a])	127.8280	0.000	1	127.8280	0.000	1	127.8280	0.000	1	127.8280	0.000	1	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:2:2:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]O[5a])(NN)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]O[5a])(NN)	Cl(C[5a]C[5a]N[5a])	127.4680	0.000	1	127.4680	0.000	1	127.4680	0.000	1	127.4680	0.000	1	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:2:4:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(S[5a]C[5a])(CCHN)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(Cl){1|Cl<1>}	C[5a](C[5a]N[5a]Cl)(S[5a]C[5a])(CCHN){1|Cl<1>}	Cl(C[5a]C[5a]N[5a])	124.0920	0.000	1	124.0920	0.000	1	124.0920	0.000	1	124.0920	0.000	1	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl){1|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|N<2>}	Cl(C[5a]C[5a]N[5a])	122.7940	0.451	2	122.7940	0.204	2	122.8762	0.198	6	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl){1|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	Cl(C[5a]C[5a]N[5a])	122.9225	0.605	2	122.9225	0.366	2	122.8762	0.198	6	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl)	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl){1|C<3>}	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|S<2>}	Cl(C[5a]C[5a]N[5a])	122.9120	0.634	2	122.9120	0.401	2	122.8762	0.198	6	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]O[5a])(Cl)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]Cl)(I)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]O[5a])(Cl){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]Cl)(I){2|C<3>}	Cl(C[5a]C[5a]N[5a])	126.9780	0.000	1	126.9780	0.000	1	126.9780	0.000	1	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|H<1>}	Cl(C[5a]C[5a]N[5a])	126.9855	1.316	2	126.7043	1.103	3	126.7043	1.103	3	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|Rh<8>,1|C<4>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|Rh<8>}	Cl(C[5a]C[5a]N[5a])	126.1420	0.000	1	126.7043	1.103	3	126.7043	1.103	3	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H){1|H<1>}	Cl(C[5a]C[5a]N[5a])	127.2050	0.000	1	127.2050	0.000	1	127.2050	0.000	1	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:N[5a]-2:Cl-1:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl){1|C<3>,1|C<4>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|C<4>,2|H<1>}	Cl(C[5a]C[5a]N[5a])	126.7130	0.000	1	126.7130	0.000	1	126.7130	0.000	1	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:O[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl)	C[5a](C[5a]O[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]O[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>}	Cl(C[5a]C[5a]O[5a])	132.6810	0.000	1	132.6297	0.073	3	132.6297	0.073	3	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:O[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl)	C[5a](C[5a]O[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]O[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](C[5a]O[5a]Cl)(C[5a]C[5a]H)(H){1|C<4>}	Cl(C[5a]C[5a]O[5a])	132.6040	0.378	2	132.6297	0.073	3	132.6297	0.073	3	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl)	C[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]S[5a]Cl)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]S[5a]Cl)(H){4|C<4>}	Cl(C[5a]C[5a]S[5a])	126.6520	0.206	2	126.6520	0.043	2	126.5786	0.296	9	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Cl)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Cl)(H){1|O<1>,2|C<3>}	Cl(C[5a]C[5a]S[5a])	127.1565	0.309	2	127.1565	0.095	2	126.5786	0.296	9	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl)	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(Cl){1|C<3>,1|S<4>}	C[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]Cl)(H){1|C<3>,1|N<3>,2|O<1>}	Cl(C[5a]C[5a]S[5a])	126.3180	0.550	5	126.3180	0.303	5	126.5786	0.296	9	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(Cl){1|O<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	Cl(C[5a]C[5a]S[5a])	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H){1|C<3>,2|C<4>}	Cl(C[5a]C[5a]S[5a])	126.9523	0.307	4	126.9022	0.083	5	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>}	Cl(C[5a]C[5a]S[5a])	126.7020	0.000	1	126.9022	0.083	5	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Br<1>,1|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|Br<1>,2|C<3>}	Cl(C[5a]C[5a]S[5a])	126.3555	0.071	2	127.0404	0.150	26	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,1|N<2>}	Cl(C[5a]C[5a]S[5a])	127.0720	0.000	1	127.0404	0.150	26	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|C<4>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|C<3>,1|C<4>,1|N<3>}	Cl(C[5a]C[5a]S[5a])	126.7920	0.000	1	127.0404	0.150	26	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|H<1>,2|C<3>}	Cl(C[5a]C[5a]S[5a])	127.1605	0.684	2	127.0404	0.150	26	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Cl<1>,1|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){1|Cl<1>,2|C<3>}	Cl(C[5a]C[5a]S[5a])	127.2007	0.223	4	127.0404	0.150	26	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){2|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(H){3|C<3>}	Cl(C[5a]C[5a]S[5a])	127.0845	0.363	16	127.0404	0.150	26	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|Cl<1>,1|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]C)(H){1|Cl<1>}	Cl(C[5a]C[5a]S[5a])	127.0381	0.371	11	127.0381	0.137	11	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>}	Cl(C[5a]C[5a]S[5a])	126.7084	0.562	23	126.7652	0.523	32	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|C<4>}	Cl(C[5a]C[5a]S[5a])	126.8715	1.127	8	126.7652	0.523	32	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(Cl){1|H<1>,1|N<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(H){1|N<3>}	Cl(C[5a]C[5a]S[5a])	127.2220	0.000	1	126.7652	0.523	32	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl){1|C<3>,1|O<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H){1|C<3>}	Cl(C[5a]C[5a]S[5a])	128.0730	0.000	1	127.8767	0.175	3	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:1:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl){1|C<4>,1|O<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H){1|C<4>}	Cl(C[5a]C[5a]S[5a])	127.7785	0.541	2	127.8767	0.175	3	126.9493	0.342	77	126.8029	2.374	102	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NC)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(Cl){2|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NC){1|H<1>}	Cl(C[5a]C[5a]N[5a])	126.1000	0.000	1	126.1000	0.000	1	126.1000	0.000	1	127.2537	0.606	4	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:2:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(Cl)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]Cl)(O[5a]C[5a])	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	Cl(C[5a]C[5a]N[5a])	127.8020	0.000	1	127.8020	0.000	1	127.8020	0.000	1	127.2537	0.606	4	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:2:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]S)(SCl)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(Cl){1|Cl<1>,1|S<2>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]S)(SCl){1|Cl<1>}	Cl(C[5a]C[5a]S[5a])	127.5565	0.057	2	127.5565	0.003	2	127.5565	0.003	2	127.2537	0.606	4	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]Ni)(COO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(Cl){1|Ni<4>,1|C<4>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]Ni)(COO){1|C<4>}	Cl(C[5a]C[5a]N[5a])	128.7480	0.000	1	128.7480	0.000	1	128.7480	0.000	1	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHO){1|C<4>}	Cl(C[5a]C[5a]N[5a])	126.3933	0.563	3	126.3933	0.317	3	126.5783	0.140	7	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHN)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHN){1|C<4>}	Cl(C[5a]C[5a]N[5a])	126.7620	0.144	2	126.7620	0.021	2	126.5783	0.140	7	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHO){1|C<4>}	Cl(C[5a]C[5a]N[5a])	126.6720	0.000	2	126.6720	0.000	2	126.5783	0.140	7	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(Cl)	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5]C[5]N[5])(C[5a]S[5a]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[5a]C[5a]S[5a])	129.4560	0.000	1	129.4560	0.000	1	129.4560	0.000	1	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCN)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCN){1|Cl<1>}	Cl(C[5a]C[5a]S[5a])	130.2290	0.298	2	130.2290	0.089	2	130.2788	0.277	11	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCO)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CCO){1|Cl<1>}	Cl(C[5a]C[5a]S[5a])	130.4596	0.472	7	130.4596	0.223	7	130.2788	0.277	11	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(COO)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(COO){1|Cl<1>}	Cl(C[5a]C[5a]S[5a])	129.6960	0.659	2	129.6960	0.434	2	130.2788	0.277	11	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:3:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]H)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	Cl(C[5a]C[5a]S[5a])	127.2142	0.471	4	127.2142	0.222	4	127.2142	0.222	4	128.5907	3.145	24	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:4:	3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO){1|C<4>}	Cl(C[5a]C[5a]N[5a])	127.0080	0.000	1	127.0080	0.000	1	127.0080	0.000	1	127.0880	0.784	4	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:4:	3:	C[5a]-3:N[5a]-2:Cl-1:	N[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O){1|H<1>,2|C<3>}	Cl(C[5a]C[5a]N[5a])	125.9650	0.000	1	125.9650	0.000	1	125.9650	0.000	1	127.0880	0.784	4	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:3:4:	3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO)	Cl(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(Cl){2|H<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]H)(CHHO){1|H<1>}	Cl(C[5a]C[5a]S[5a])	127.6895	0.602	2	127.6895	0.362	2	127.6895	0.362	2	127.0880	0.784	4	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:2:1:	3:4:2:	3:	C[5a]-3:O[5a]-2:Cl-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(Cl)	C[5a](C[5a]O[5a]Cl)(C[6]S[6]2H)(N[5a]C[5a])	Cl(C[5a]C[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(Cl){1|C<3>,1|H<1>,2|S<2>}	C[5a](C[5a]O[5a]Cl)(C[6]S[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>}	Cl(C[5a]C[5a]O[5a])	133.2920	0.000	1	133.2920	0.000	1	133.2920	0.000	1	133.2920	0.000	1	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl){1|C<3>}	Cl(C[5a]C[5a]2)	123.5885	0.172	2	123.5885	0.030	2	123.4877	0.451	6	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl){1|C<3>}	Cl(C[5a]C[5a]2)	124.0025	0.633	2	124.0025	0.401	2	123.4877	0.451	6	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]Cl)(N[5a]S[5a])(Cl){1|C<3>}	Cl(C[5a]C[5a]2)	122.8720	0.717	2	122.8720	0.514	2	123.4877	0.451	6	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]H)(Cl){1|C<4>,2|O<2>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H){1|B<3>,1|C<4>}	Cl(C[5a]C[5a]2)	125.8370	0.000	1	125.8370	0.000	1	126.9580	0.632	5	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]H)2(Cl){1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]2)	127.2382	0.565	4	127.2382	0.319	4	126.9580	0.632	5	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(Cl){1|O<1>}	Cl(C[5a]C[5a]2)	122.7590	0.000	1	122.7590	0.000	1	122.7590	0.000	1	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl){1|C<3>}	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(H){1|Cl<1>,1|C<3>}	Cl(C[5a]C[5a]2)	124.1530	0.676	2	124.1530	0.457	2	124.1530	0.457	2	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O)	Cl(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Cl)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O){1|Cl<1>}	Cl(C[5a]C[5a]2)	118.8110	0.000	1	118.8110	0.000	1	118.4510	0.259	2	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:O-1:	C[5a]-3:	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O)	Cl(C[5a]C[5a]2)	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(O){1|N<3>}	Cl(C[5a]C[5a]2)	118.0910	0.000	1	118.0910	0.000	1	118.4510	0.259	2	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|H<1>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	Cl(C[5a]C[5a]N[5a])	130.2720	0.600	2	130.8873	1.316	3	130.8873	1.316	3	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|Rh<8>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|Rh<8>,1|C<4>}	Cl(C[5a]C[5a]N[5a])	132.1180	0.000	1	130.8873	1.316	3	130.8873	1.316	3	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl)	Cl(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl){1|C<3>,1|C<4>}	Cl(C[5a]N[5a,6]C[5a])	131.1990	0.000	1	131.1990	0.000	1	131.1990	0.000	1	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:1:	3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(H)	Cl(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(H){2|C<3>}	Cl(C[5a]N[5a,6a]C[5a])	132.2770	0.000	1	132.2770	0.000	1	132.2770	0.000	1	125.7058	15.908	21	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CN)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl){1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CN){1|C<3>,1|N<2>}	Cl(C[5a]C[5a]2)	124.8005	1.521	2	124.8005	2.313	2	124.8005	2.313	2	124.8005	2.313	2	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CNO)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CNO){2|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	124.2695	0.592	2	124.2695	0.350	2	125.1602	0.887	5	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(COO)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(COO){2|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	125.7540	0.525	3	125.7540	0.276	3	125.1602	0.887	5	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]O[5a])(NHH)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]O[5a])(NHH){1|C<4>}	Cl(C[5a]C[5a]2)	125.2490	0.000	1	125.2490	0.000	1	127.5717	4.078	3	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]N[5a]N)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(NOO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]N)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	Cl(C[5a]C[5a]2)	128.7330	0.253	2	128.7330	0.064	2	127.5717	4.078	3	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl){1|N<2>}	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH){1|C<2>,1|N<2>}	Cl(C[5a]C[5a]2)	123.7410	0.000	1	123.7410	0.000	1	124.8141	0.876	8	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl){1|H<1>}	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CCH){1|Cl<1>,1|H<1>}	Cl(C[5a]C[5a]2)	123.4380	0.000	1	123.4380	0.000	1	124.8141	0.876	8	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CNO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl){1|H<1>}	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CNO){2|H<1>}	Cl(C[5a]C[5a]2)	126.4530	0.000	1	126.4530	0.000	1	124.8141	0.876	8	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(COO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl){1|H<1>}	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(COO){2|H<1>}	Cl(C[5a]C[5a]2)	124.9270	0.345	3	124.9270	0.119	3	124.8141	0.876	8	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CC[6a]C)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CC[6a]C){1|Cl<1>}	Cl(C[5a]C[5a]2)	124.9800	0.000	1	124.9800	0.000	1	124.8141	0.876	8	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CHN)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CHN){1|Cl<1>}	Cl(C[5a]C[5a]2)	125.1200	0.000	1	125.1200	0.000	1	124.8141	0.876	8	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(NC[6a]H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]S[5a]N)(C[5a]S[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(NC[6a]H){1|O<1>}	Cl(C[5a]C[5a]2)	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(NOO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Cl){1|C<4>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(NOO){2|C<4>}	Cl(C[5a]C[5a]N[5a])	134.2570	0.000	1	134.2570	0.000	1	134.2570	0.000	1	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:3:	3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl)	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	Cl(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	Cl(C[5a]N[5a,6a]C[5a])	132.9360	0.000	1	132.9360	0.000	1	132.9360	0.000	1	126.0877	9.828	19	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CCHH)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(Cl){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]Cl)(S[5a]C[5a,6a])(CCHH){2|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	123.0510	0.799	2	123.0510	0.638	2	123.0510	0.638	2	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	Cl(C[5a]C[5a]2)	125.3480	0.000	1	125.3480	0.000	1	126.5404	0.677	7	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|B<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	Cl(C[5a]C[5a]2)	126.5660	0.000	1	126.7392	0.480	6	126.5404	0.677	7	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	Cl(C[5a]C[5a]2)	126.5533	0.999	3	126.7392	0.480	6	126.5404	0.677	7	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){2|C<4>}	Cl(C[5a]C[5a]2)	127.1390	0.000	1	126.7392	0.480	6	126.5404	0.677	7	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	Cl(C[5a]C[5a]2)	127.0700	0.000	1	126.7392	0.480	6	126.5404	0.677	7	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]N)(C[5a]O[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3){1|N<3>}	Cl(C[5a]C[5a]2)	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:2:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CC3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(S[5a]C[5a])(CC3){1|B<3>,1|C<4>}	Cl(C[5a]C[5a]2)	123.8660	0.000	1	123.8660	0.000	1	123.8660	0.000	1	125.7944	3.217	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)(H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	Cl(C[5a]C[5a,6a]C[5a])	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H){1|H<1>,4|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	125.6035	0.558	2	125.6035	0.311	2	125.6035	0.311	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|C<4>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	Cl(C[5a]C[5a,6a]C[5a])	125.9480	0.000	1	125.8330	0.026	2	125.8330	0.026	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|C<4>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	125.7180	0.000	1	125.8330	0.026	2	125.8330	0.026	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|Br<1>,1|Cl<1>,1|B<4>,1|C<3>}	Cl(C[5a]C[5a]2)	127.0750	0.642	2	127.0750	0.412	2	127.1453	6.229	8	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	Cl(C[5a]C[5a]2)	127.8215	0.302	2	127.7810	0.033	4	127.1453	6.229	8	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){2|Cl<1>,1|B<4>,1|C<3>}	Cl(C[5a]C[5a]2)	127.7405	0.042	2	127.7810	0.033	4	127.1453	6.229	8	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]O)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]O)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|B<4>,1|C<3>,2|O<2>}	Cl(C[5a]C[5a]2)	125.9440	6.211	2	125.9440	38.579	2	127.1453	6.229	8	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	Cl(C[5a]C[5a]2)	127.0795	0.723	2	127.0795	0.523	2	126.7721	1.439	24	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	Cl(C[5a]C[5a]2)	126.5980	0.000	1	126.5980	0.000	1	126.7721	1.439	24	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(Cl){1|B<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,3|C<3>}	Cl(C[5a]C[5a]2)	125.0230	0.098	2	125.0230	0.010	2	126.7721	1.439	24	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl){1|B<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,3|C<3>}	Cl(C[5a]C[5a]2)	125.9574	1.229	8	125.9574	1.511	8	126.7721	1.439	24	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	Cl(C[5a]C[5a]2)	127.3013	0.263	4	127.6425	0.200	11	126.7721	1.439	24	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,2|C<3>}	Cl(C[5a]C[5a]2)	127.8565	0.255	2	127.6425	0.200	11	126.7721	1.439	24	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){2|Cl<1>,1|B<4>,1|C<3>}	Cl(C[5a]C[5a]2)	127.8300	0.499	5	127.6425	0.200	11	126.7721	1.439	24	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br){1|Cl<1>,1|H<1>}	Cl(C[5a]C[5a]2)	126.7890	0.000	1	127.3746	0.489	5	127.3746	0.489	5	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br){1|Cl<1>,1|C<3>}	Cl(C[5a]C[5a]2)	127.5210	0.714	4	127.3746	0.489	5	127.3746	0.489	5	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl){1|Co<6>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl){1|Co<6>,1|C<3>}	Cl(C[5a]C[5a]2)	125.0035	1.037	2	123.7633	1.112	18	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl){1|Ni<4>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl){1|Ni<4>,1|C<3>}	Cl(C[5a]C[5a]2)	123.6082	0.979	16	123.7633	1.112	18	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl){1|Cl<1>,1|C<3>}	Cl(C[5a]C[5a]2)	127.4040	0.000	1	127.4040	0.000	1	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]2)	124.7220	0.000	1	124.7220	0.000	1	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl){1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl){1|C<3>}	Cl(C[5a]C[5a]2)	122.9040	0.000	1	122.9040	0.000	1	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl){1|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(Cl){1|H<1>}	Cl(C[5a]C[5a]2)	123.5700	0.000	1	123.5700	0.000	1	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl){1|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|S<2>}	Cl(C[5a]C[5a]2)	122.6410	0.000	1	122.6410	0.000	1	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(Cl){1|C<3>}	Cl(C[5a]C[5a]2)	120.8860	0.000	1	120.8860	0.000	1	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl){1|Ru<8>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl){1|Ru<8>,1|N<3>,2|C<3>}	Cl(C[5a]C[5a]2)	125.3185	0.166	2	125.3185	0.028	2	123.8655	1.919	26	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H){2|H<1>}	Cl(C[5a]C[5a]2)	126.1480	0.000	1	126.1480	0.000	1	122.3792	7.496	6	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(Cl){1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]H)(H){1|C<3>}	Cl(C[5a]C[5a]2)	120.6698	0.850	4	120.6698	0.723	4	122.3792	7.496	6	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]2)	125.4480	0.000	1	125.4480	0.000	1	122.3792	7.496	6	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl){1|Br<1>,3|C<3>}	Cl(C[5a]C[5a]2)	125.7863	0.255	3	125.7863	0.065	3	125.9673	0.793	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)(Cl){1|Br<1>,1|C<3>}	Cl(C[5a]C[5a]2)	124.6760	0.000	1	124.6760	0.000	1	125.9673	0.793	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl){1|Br<1>,1|C<3>}	Cl(C[5a]C[5a]2)	126.2790	0.000	1	126.2790	0.000	1	125.9673	0.793	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl){1|C<3>,1|N<3>}	Cl(C[5a]C[5a]2)	126.7285	1.266	2	126.7285	1.604	2	125.9673	0.793	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]2)	125.1790	0.000	1	125.1790	0.000	1	125.0960	0.014	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	Cl(C[5a]C[5a]2)	125.0130	0.000	1	125.0130	0.000	1	125.0960	0.014	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Br)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Cl){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	Cl(C[5a]C[5a]2)	125.9105	0.462	2	125.9105	0.213	2	125.9105	0.213	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	Cl(C[5a]C[5a]2)	125.1680	0.364	4	125.1680	0.132	4	124.8095	0.290	16	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl){1|B<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|N<3>,2|C<3>,2|F<1>}	Cl(C[5a]C[5a]2)	124.9880	0.000	1	124.9880	0.000	1	124.8095	0.290	16	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	Cl(C[5a]C[5a]2)	124.6629	0.564	11	124.6629	0.318	11	124.8095	0.290	16	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Cl){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	Cl(C[5a]C[5a]2)	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	Cl(C[5a]C[5a]2)	125.8680	0.000	1	125.8680	0.000	1	125.8680	0.000	1	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl){1|Cl<1>,1|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H){2|Cl<1>,2|C<3>}	Cl(C[5a]C[5a]2)	126.9540	0.000	1	126.9540	0.000	1	126.4796	0.154	5	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)2(Cl)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]H)2(Cl){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[5a]C[5a]2)	126.0950	0.100	2	126.3610	0.112	4	126.4796	0.154	5	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)2(Cl)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]H)2(Cl){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|H<1>,2|N<2>}	Cl(C[5a]C[5a]2)	126.6270	0.204	2	126.3610	0.112	4	126.4796	0.154	5	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	Cl(C[5a]C[5a]N[5a])	128.4387	0.162	3	128.4387	0.026	3	128.4914	0.286	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)(Cl){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	Cl(C[5a]C[5a]N[5a])	127.4470	0.000	1	127.4470	0.000	1	128.4914	0.286	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]N[5a])	129.0050	0.000	1	129.0050	0.000	1	128.4914	0.286	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl){1|H<1>,3|C<3>}	Cl(C[5a]C[5a]N[5a])	128.8360	0.255	2	128.8360	0.065	2	128.4914	0.286	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H){1|C<4>,1|H<1>}	Cl(C[5a]C[5a]N[5a])	129.8150	0.000	1	129.5223	0.160	3	128.8003	1.588	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H){1|Cl<1>,1|C<4>}	Cl(C[5a]C[5a]N[5a])	129.3760	0.437	2	129.5223	0.160	3	128.8003	1.588	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]N[5a])	130.0050	0.000	1	130.0050	0.000	1	128.8003	1.588	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(Cl){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>}	Cl(C[5a]C[5a]N[5a])	128.9400	0.000	1	128.9400	0.000	1	128.8003	1.588	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(Cl){1|Cl<1>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|Cl<1>,1|S<4>}	Cl(C[5a]C[5a]N[5a])	127.0450	0.109	2	127.0450	0.012	2	128.8003	1.588	7	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl)	Cl(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl){1|B<4>,1|C<3>}	Cl(C[5a]N[5a,6]C[5a])	126.0050	0.474	4	126.0050	0.225	4	126.6355	0.508	17	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl)	Cl(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl){1|B<4>,3|C<3>}	Cl(C[5a]N[5a,6]C[5a])	126.0530	0.093	2	126.0530	0.009	2	126.6355	0.508	17	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	Cl(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	Cl(C[5a]N[5a,6]C[5a])	126.9707	0.627	11	126.9707	0.394	11	126.6355	0.508	17	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H)	Cl(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>}	Cl(C[5a]N[5a,6]C[5a])	126.4107	0.318	14	126.4107	0.101	14	126.4107	0.101	14	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]H)(H)	Cl(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]H)(H){2|C<3>}	Cl(C[5a]N[5a,6a]C[5a])	130.8970	0.000	1	130.8970	0.000	1	130.5565	0.232	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]N)(H)	Cl(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]N)(H){2|C<3>}	Cl(C[5a]N[5a,6a]C[5a])	130.2160	0.000	1	130.2160	0.000	1	130.5565	0.232	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	Cl(C[5a]C[5a]N[5a])	129.6500	0.000	1	129.6500	0.000	1	129.6500	0.000	1	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:1:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|Cu<4>,1|C<3>}	Cl(C[5a]C[5a]N[5a])	124.7265	0.016	2	124.7265	0.000	2	124.7265	0.000	2	125.9536	4.279	158	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]S[5a]C[5])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|S<2>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a]){2|Cl<1>,1|N<2>,1|S<2>}	Cl(C[5a]C[5a]2)	126.4110	1.283	2	126.4110	1.645	2	126.4110	1.645	2	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl){1|N<2>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN){1|C<3>}	Cl(C[5a]C[5a]2)	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(Cl){1|Zn<5>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){1|Zn<5>,1|C<3>}	Cl(C[5a]C[5a]2)	124.4718	1.828	4	124.4718	3.342	4	125.5511	3.597	7	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){1|C<2>,1|H<1>}	Cl(C[5a]C[5a]2)	126.3570	0.000	1	126.3570	0.000	1	125.5511	3.597	7	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC){1|H<1>,1|N<2>,2|C<3>}	Cl(C[5a]C[5a]2)	127.5090	0.000	1	127.5090	0.000	1	125.5511	3.597	7	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){2|H<1>}	Cl(C[5a]C[5a]2)	127.1050	0.000	1	127.1050	0.000	1	125.5511	3.597	7	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Cl)(S[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	Cl(C[5a]C[5a]2)	125.2090	0.000	1	125.2090	0.000	1	125.7227	0.204	3	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(S[5a]N[5a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(S[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	Cl(C[5a]C[5a]2)	125.9795	0.108	2	125.9795	0.012	2	125.7227	0.204	3	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]O[5a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl){4|C<3>}	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]O[5a]){2|C<4>,3|C<3>}	Cl(C[5a]C[5a]2)	126.5200	0.000	1	126.5200	0.000	1	126.5200	0.000	1	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]N[5a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]O[5a])(Cl){4|C<3>}	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>}	Cl(C[5a]C[5a]2)	127.6280	0.000	1	127.6280	0.000	1	127.3105	0.202	2	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]C[5a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Cl){3|C<3>}	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	Cl(C[5a]C[5a]2)	126.9930	0.000	1	126.9930	0.000	1	127.3105	0.202	2	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CN)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CN){1|C<3>,1|O<2>}	Cl(C[5a]C[5a]2)	125.8490	0.000	1	125.8490	0.000	1	125.8490	0.000	1	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	Cl(C[5a]C[5a]2)	124.1115	0.674	2	124.1115	0.454	2	124.1115	0.454	2	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]O)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]O)(Cl){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a]){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	Cl(C[5a]C[5a]2)	127.7125	3.816	2	127.7125	14.564	2	127.7125	14.564	2	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC){1|C<2>,2|C<3>}	Cl(C[5a]C[5a]2)	128.9830	1.424	2	128.9830	2.028	2	128.9830	2.028	2	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|S<2>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS){1|Cl<1>,1|C<4>}	Cl(C[5a]C[5a]N[5a])	127.1197	2.817	6	127.1197	7.934	6	127.1197	7.934	6	126.2760	4.990	29	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]S)(CHO)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]S)(CHO){2|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl)	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS)	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl){1|C<3>,1|C<4>,2|N<2>}	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	Cl(C[5a]C[5a,6a]C[5a])	123.5990	0.000	1	123.5990	0.000	1	123.5990	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl){1|B<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,4|C<3>}	Cl(C[5a]C[5a]2)	127.1295	0.035	2	127.1295	0.001	2	127.1295	0.001	2	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:B-3:	C[5a]-3:	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]C)(BC[6a]2){1|C<4>}	Cl(C[5a]C[5a]2)	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C)(COO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(Cl){3|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]O[5a]C)(COO){1|C<3>}	Cl(C[5a]C[5a]2)	124.2940	0.000	1	124.2940	0.000	1	124.2940	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N)(C[6a]C[6a]2)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|Pt<5>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Pt<5>,2|H<1>,3|C<3>}	Cl(C[5a]C[5a]2)	126.0130	0.543	2	126.0130	0.295	2	126.0130	0.295	2	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(C[5a]C[5a]2)	126.3490	0.000	1	126.3490	0.000	1	127.2300	2.273	7	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(Cl)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]Zn)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(Cl){1|Zn<5>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]Zn){1|Cl<1>,1|O<2>,3|C<3>}	Cl(C[5a]C[5a]2)	127.9020	1.598	4	127.9020	2.554	4	127.2300	2.273	7	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,3|C<3>}	Cl(C[5a]C[5a]2)	126.3265	1.326	2	126.3265	1.758	2	127.2300	2.273	7	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[6]C[6]N[6])(N[5a]C[5a]Ru)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl){1|Ru<8>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[6]C[6]N[6])(N[5a]C[5a]Ru){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[5a]C[5a]2)	127.0640	0.075	2	127.0640	0.006	2	127.0640	0.006	2	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:B[5]-3:	C[5a]-3:	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]H)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]H)(Cl){1|C<4>,2|O<2>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2){1|H<1>,2|C<4>}	Cl(C[5a]C[5a]2)	126.8870	0.000	1	126.8870	0.000	1	126.8870	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Co)(CNO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl){1|Co<6>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Co)(CNO){1|Cl<1>,1|C<3>}	Cl(C[5a]C[5a]2)	128.2805	0.271	2	128.2805	0.073	2	128.0807	1.979	23	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a])	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Cl){1|Ni<4>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|Cl<1>,1|C<3>}	Cl(C[5a]C[5a]2)	128.6060	0.783	16	128.6060	0.612	16	128.0807	1.979	23	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CCH)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CCH){1|C<3>,1|O<2>}	Cl(C[5a]C[5a]2)	123.1920	0.000	1	123.1920	0.000	1	128.0807	1.979	23	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO){1|C<4>}	Cl(C[5a]C[5a]2)	126.4485	0.210	2	126.4485	0.044	2	128.0807	1.979	23	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN){1|C<4>}	Cl(C[5a]C[5a]2)	127.3690	0.000	1	127.3690	0.000	1	128.0807	1.979	23	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO){1|C<4>}	Cl(C[5a]C[5a]2)	128.1420	0.000	1	128.1420	0.000	1	128.0807	1.979	23	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Pt)(C[6a]C[6a]2)	Cl(C[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|Pt<5>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Pt)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	Cl(C[5a]C[5a]2)	123.8460	0.430	2	123.8460	0.185	2	123.8460	0.185	2	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a]N[5a]N)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]N)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO){1|N<3>}	Cl(C[5a]C[5a]2)	129.1980	0.212	2	129.1980	0.045	2	129.1980	0.045	2	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(Cl){1|B<4>,1|N<3>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	Cl(C[5a]C[5a]2)	125.4650	0.133	2	125.4650	0.018	2	125.4650	0.018	2	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:C[5a]-3:Cl-1:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl){1|B<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	Cl(C[5a]C[5a]2)	124.8033	1.189	8	124.8033	1.414	8	124.8033	1.414	8	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]Cl)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(Cl){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]Cl){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	Cl(C[5a]C[5a]N[5a])	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CCO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CCO){1|Cl<1>,1|C<4>}	Cl(C[5a]C[5a]N[5a])	130.4840	0.014	2	130.4840	0.000	2	130.1424	0.705	5	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl){1|C<4>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN){1|C<4>}	Cl(C[5a]C[5a]N[5a])	129.2830	0.195	2	129.2830	0.038	2	130.1424	0.705	5	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl){1|C<4>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO){1|C<4>}	Cl(C[5a]C[5a]N[5a])	131.1780	0.000	1	131.1780	0.000	1	130.1424	0.705	5	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(Cl){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2){3|H<1>,5|C<3>}	Cl(C[5a]C[5a]N[5a])	128.8225	0.682	2	128.8225	0.466	2	128.8225	0.466	2	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]N)(NOO)	Cl(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl){1|N<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]N)(NOO){1|C<4>}	Cl(C[5a]C[5a]N[5a])	131.3780	0.000	1	131.3780	0.000	1	131.3780	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(Cl)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)	Cl(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(Cl){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	Cl(C[5a]N[5a,6a]C[5a])	130.4270	0.000	1	130.4270	0.000	1	130.4270	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCH)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCH){1|C<3>}	Cl(C[5a]C[5a]N[5a])	128.0370	1.407	2	128.0370	1.980	2	129.5338	2.447	14	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCO)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCO){1|C<3>}	Cl(C[5a]C[5a]N[5a])	131.6910	0.000	1	131.6910	0.000	1	129.5338	2.447	14	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN){1|C<3>}	Cl(C[5a]C[5a]N[5a])	128.4475	0.550	6	128.4475	0.302	6	129.5338	2.447	14	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO){1|C<3>}	Cl(C[5a]C[5a]N[5a])	130.8783	0.569	4	130.8783	0.324	4	129.5338	2.447	14	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(COO)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(COO){1|C<3>}	Cl(C[5a]C[5a]N[5a])	131.5100	0.000	1	131.5100	0.000	1	129.5338	2.447	14	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NHH)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NHH){1|C<3>}	Cl(C[5a]C[5a]N[5a])	127.9320	0.000	1	127.9320	0.000	1	127.9320	0.000	1	127.6178	5.653	80	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|B<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3){1|C<4>}	Cl(C[5a]C[5a]2)	126.2410	0.000	1	126.2410	0.000	1	125.9117	0.093	3	126.5983	2.980	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS){1|C<4>}	Cl(C[5a]C[5a]2)	125.8560	0.000	1	125.8560	0.000	1	125.9117	0.093	3	126.5983	2.980	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:4:	3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)2(Cl)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3)	Cl(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(Cl){1|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3){1|C<4>}	Cl(C[5a]C[5a]2)	125.6380	0.000	1	125.6380	0.000	1	125.9117	0.093	3	126.5983	2.980	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	Cl(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	Cl(C[5a]N[5a,6]C[5a])	125.8217	0.348	6	125.8217	0.121	6	125.8217	0.121	6	126.5983	2.980	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH){1|C<3>}	Cl(C[5a]C[5a]N[5a])	129.1210	0.000	1	129.1210	0.000	1	129.1210	0.000	1	126.5983	2.980	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl){4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C){4|C<3>}	Cl(C[5a]C[5a]N[5a])	130.7950	0.000	1	130.7950	0.000	1	130.7950	0.000	1	126.5983	2.980	11	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	4:3:2:	3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(Cl)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a])	Cl(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[5])(Cl){2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	Cl(C[5a]C[5a,6a]C[5a])	126.4380	0.000	1	126.4380	0.000	1	126.4380	0.000	1	126.4380	0.000	1	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|N<2>,2|C<3>,3|H<1>}	Cl(C[5a]C[5a]N[5a])	129.4160	0.000	1	129.4160	0.000	1	129.4160	0.000	1	128.7985	0.763	2	126.6264	5.279	472	126.5238	5.450	522
727	727	790	0:SP2_SP-NON_SP2	C[5a]	C[5a]	Cl	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:Cl-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	Cl(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|H<1>,4|C<3>}	Cl(C[5a]C[5a]N[5a])	128.1810	0.000	1	128.1810	0.000	1	128.1810	0.000	1	128.7985	0.763	2	126.6264	5.279	472	126.5238	5.450	522
727	727	811	0:SP2_SP2_SP3	C[5a,6a,6a]	C[5a]	B[3x6a]	4:3:3:	3:3:3:	3:3:3:3:	B[3x6a]-4:N[5a,6a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N)	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N){2|N<3>,7|C<3>}	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	133.9480	0.000	1	133.9480	0.000	1	133.9480	0.000	1	133.9480	0.000	1	133.9480	0.000	1	133.9480	0.000	1
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,5a]C[5])(C[5a]C[5a,5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,5a]C[5])(C[5a]C[5a,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH){1|H<1>,5|C<3>}	140.1140	0.000	1	140.1140	0.000	1	140.1140	0.000	1	138.1720	2.839	3	138.1720	2.839	3	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C)	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3)	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	137.2010	0.141	2	137.2010	0.020	2	137.2010	0.020	2	138.1720	2.839	3	138.1720	2.839	3	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	142.1480	0.000	1	142.1480	0.000	1	142.1480	0.000	1	136.5932	5.500	9	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	135.6772	0.896	6	135.8989	1.327	8	135.8989	1.327	8	136.5932	5.500	9	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){2|C<4>,6|C<3>}	136.5640	2.025	2	135.8989	1.327	8	135.8989	1.327	8	136.5932	5.500	9	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	136.7220	0.000	1	136.7220	0.000	1	132.4353	13.782	3	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	130.2920	0.000	2	130.2920	0.000	2	132.4353	13.782	3	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a])	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	141.7350	0.000	1	141.7350	0.000	1	141.7350	0.000	1	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH){1|O<2>,5|C<3>}	138.2555	0.177	2	138.2555	0.032	2	137.7486	0.228	5	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH){6|C<3>}	137.4107	0.110	3	137.4107	0.012	3	137.7486	0.228	5	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	139.7615	0.097	2	139.7615	0.009	2	139.5777	0.670	26	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|Br<1>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){2|C<4>,6|C<3>}	139.8868	0.656	4	139.8868	0.431	4	139.5777	0.670	26	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	139.6372	0.555	4	139.6372	0.308	4	139.5777	0.670	26	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){2|C<4>,8|C<3>}	139.8478	1.107	6	139.4173	0.992	14	139.5777	0.670	26	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){3|C<4>,7|C<3>}	139.0944	0.830	8	139.4173	0.992	14	139.5777	0.670	26	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2){2|C<4>,6|C<3>}	139.7790	0.858	2	139.7790	0.737	2	139.5777	0.670	26	138.7658	5.782	35	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|B<3>,1|H<1>,4|C<3>}	133.6110	0.000	1	133.6110	0.000	1	132.8066	11.810	11	132.8066	11.810	11	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	137.1450	0.093	2	137.1450	0.009	2	132.8066	11.810	11	132.8066	11.810	11	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	139.3200	0.000	1	139.3200	0.000	1	132.8066	11.810	11	132.8066	11.810	11	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	130.6785	0.203	2	130.6785	0.041	2	132.8066	11.810	11	132.8066	11.810	11	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	130.1710	0.000	1	130.4590	0.181	5	132.8066	11.810	11	132.8066	11.810	11	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	130.5310	0.454	4	130.4590	0.181	5	132.8066	11.810	11	132.8066	11.810	11	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:B[5a]-4:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){2|Br<1>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	140.3255	0.622	2	140.3255	0.386	2	140.3255	0.386	2	140.3255	0.386	2	137.3275	12.127	57	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	139.6350	0.000	1	139.6350	0.000	1	139.6350	0.000	1	139.6350	0.000	1	139.6350	0.000	1	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a,6]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a])	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,5a]C[5a]S[5a])(S[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	138.3130	0.400	2	138.3130	0.160	2	138.3130	0.160	2	138.3130	0.160	2	138.3130	0.160	2	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,2|C<3>,3|S<2>}	137.0350	0.000	1	137.0350	0.000	1	137.0350	0.000	1	137.4960	0.425	2	139.6947	1.576	28	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	137.9570	0.000	1	137.9570	0.000	1	137.9570	0.000	1	137.4960	0.425	2	139.6947	1.576	28	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	143.1230	0.122	2	143.1230	0.015	2	143.1230	0.015	2	143.1230	0.015	2	139.6947	1.576	28	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a]){1|S<2>,6|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a]){1|S<2>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	139.3122	0.581	12	139.3122	0.338	12	139.3122	0.338	12	139.3812	0.333	14	139.6947	1.576	28	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a]){7|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a]){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	139.7955	0.462	2	139.7955	0.213	2	139.7955	0.213	2	139.3812	0.333	14	139.6947	1.576	28	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C){1|C<4>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	139.7063	0.830	4	139.7063	0.688	4	139.7063	0.688	4	139.8876	0.317	10	139.6947	1.576	28	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){1|C<4>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	140.0085	0.336	6	140.0085	0.113	6	140.0085	0.113	6	139.8876	0.317	10	139.6947	1.576	28	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6,6a]-3:C[5a,5a]-3:C[6]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	142.3730	0.000	1	142.3730	0.000	1	142.3730	0.000	1	142.3730	0.000	1	143.0455	0.905	2	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){2|C<2>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	143.7180	0.000	1	143.7180	0.000	1	143.7180	0.000	1	143.7180	0.000	1	143.0455	0.905	2	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3){3|C<3>}	146.7955	0.419	2	146.7955	0.176	2	146.7955	0.176	2	146.7955	0.176	2	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(H){2|S<2>,4|C<3>}	136.2192	0.076	4	136.2192	0.006	4	136.2192	0.006	4	138.4998	12.508	6	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	143.0610	0.334	2	143.0610	0.111	2	143.0610	0.111	2	138.4998	12.508	6	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	141.5630	0.656	2	141.5630	0.431	2	138.0928	10.557	5	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	136.7840	0.000	1	136.7840	0.000	1	138.0928	10.557	5	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	135.2770	0.378	2	135.2770	0.143	2	138.0928	10.557	5	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(COO)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(COO){1|H<1>,1|S<2>,2|C<3>}	137.9770	0.000	1	137.9770	0.000	1	137.9770	0.000	1	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	139.5560	0.000	1	139.5560	0.000	1	139.5560	0.000	1	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	139.6145	0.923	2	139.6145	0.852	2	139.6145	0.852	2	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	143.2535	0.135	2	143.2535	0.018	2	143.2535	0.018	2	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	139.4340	0.000	1	139.4340	0.000	1	139.4340	0.000	1	139.4306	7.588	12	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH){1|S<2>,4|C<3>}	136.0050	0.000	1	136.0050	0.000	1	136.1300	0.216	3	139.0353	12.634	6	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH){2|S<2>,4|C<3>}	136.1925	0.639	2	136.1925	0.408	2	136.1300	0.216	3	139.0353	12.634	6	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|S<4>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	139.4890	0.000	1	139.4890	0.000	1	139.4890	0.000	1	139.0353	12.634	6	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	141.9260	0.000	1	141.9260	0.000	1	141.9260	0.000	1	139.0353	12.634	6	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){1|Cl<1>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	144.4070	0.000	1	144.4070	0.000	1	144.4070	0.000	1	139.0353	12.634	6	139.6911	12.889	26	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5a]C[6a]S[5a])(H)	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H){5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5a]C[6a]S[5a])(H){5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|S<2>,2|C<3>,3|H<1>}	138.4580	0.000	1	138.4580	0.000	1	138.4580	0.000	1	138.4580	0.000	1	137.8000	0.866	2	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,5a]-3:N[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3)	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3){1|B<4>,1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>,4|C<4>}	137.1420	0.000	1	137.1420	0.000	1	137.1420	0.000	1	137.1420	0.000	1	137.8000	0.866	2	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]O[5a])(H)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]O[5a])(H){1|B<4>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	143.3774	0.490	14	143.3739	0.208	16	143.3739	0.208	16	143.3739	0.208	16	142.6573	4.547	18	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]O[5a])(H)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]O[5a])(H){1|B<4>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	143.3490	0.091	2	143.3739	0.208	16	143.3739	0.208	16	143.3739	0.208	16	142.6573	4.547	18	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a]){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	136.9245	0.479	2	136.9245	0.229	2	136.9245	0.229	2	136.9245	0.229	2	142.6573	4.547	18	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:S[5a]-2:O-1:	C[5a,5a]-3:C[5a,6]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O)	C[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]S[5a])(O)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(S[5a]S[5a])(O){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH){1|O<1>,1|S<1>,4|S<2>}	130.3620	0.047	2	130.3620	0.002	2	130.3620	0.002	2	130.3620	0.002	2	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|H<1>,1|S<2>,2|C<3>}	137.6960	0.000	1	137.6960	0.000	1	137.7865	0.760	4	137.7806	1.746	9	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|C<3>,1|S<2>,2|H<1>}	137.2045	0.141	2	137.2045	0.020	2	137.7865	0.760	4	137.7806	1.746	9	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H)	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	139.0410	0.000	1	139.0410	0.000	1	137.7865	0.760	4	137.7806	1.746	9	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,1|N<3>,3|C<3>}	140.8120	0.000	1	140.8120	0.000	1	137.7758	2.923	5	137.7806	1.746	9	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	137.0168	0.236	4	137.0168	0.056	4	137.7758	2.923	5	137.7806	1.746	9	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]Br)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO){2|C<3>,2|H<1>,2|S<2>}	136.4745	0.954	2	136.4745	0.910	2	136.7595	0.621	8	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO){2|C<3>,2|H<1>,2|S<2>}	136.5415	0.917	2	136.5415	0.841	2	136.7595	0.621	8	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6]O)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6]O){2|C<3>,2|H<1>,2|S<2>}	137.2440	0.775	2	137.2440	0.601	2	136.7595	0.621	8	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6a]O)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6a]O){2|C<3>,2|H<1>,2|S<2>}	136.7780	1.126	2	136.7780	1.267	2	136.7595	0.621	8	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	136.1190	0.170	2	136.1190	0.029	2	135.7855	0.290	20	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	135.3415	0.617	4	135.3415	0.381	4	135.7855	0.290	20	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	135.8166	0.527	12	135.8166	0.277	12	135.7855	0.290	20	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	136.1535	0.042	2	136.1535	0.002	2	135.7855	0.290	20	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	141.2360	0.000	1	141.2360	0.000	1	141.2360	0.000	1	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]O[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]O[5a]C)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|O<2>,2|H<1>,3|C<3>}	143.6860	0.000	1	143.6860	0.000	1	143.6860	0.000	1	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	142.2830	0.540	2	142.2830	0.292	2	142.2830	0.292	2	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,5a](N[5a,5a]C[5a,6a]2)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCO)	C[5a,5a](N[5a,5a]C[5a,6a]2)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){4|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCO){2|H<1>,4|C<3>}	142.1000	0.000	1	142.1000	0.000	1	142.1000	0.000	1	137.0113	5.768	33	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(H){2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	142.0450	0.000	1	142.0450	0.000	1	138.3572	6.287	4	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	136.7870	0.174	2	136.7870	0.030	2	138.3572	6.287	4	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	137.8100	0.000	1	137.8100	0.000	1	138.3572	6.287	4	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	135.5780	0.312	4	135.6874	0.133	5	135.6874	0.133	5	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,2|C<3>,3|S<2>}	136.1250	0.000	1	135.6874	0.133	5	135.6874	0.133	5	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(H){1|C<4>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|S<2>,2|H<1>,3|C<3>}	135.5620	0.000	1	135.5620	0.000	1	135.8370	0.057	5	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	135.7570	0.093	2	135.7570	0.009	2	135.8370	0.057	5	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	136.0545	0.190	2	136.0545	0.036	2	135.8370	0.057	5	136.5036	2.994	14	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH){2|C<3>,2|N<2>}	151.8980	0.000	1	151.8980	0.000	1	151.0546	0.477	11	151.0546	0.477	11	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	149.7090	0.000	1	149.7090	0.000	1	151.0546	0.477	11	151.0546	0.477	11	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	151.1104	0.526	9	151.1104	0.277	9	151.0546	0.477	11	151.0546	0.477	11	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,4|C<3>}	151.5630	0.000	1	151.5630	0.000	1	151.5630	0.000	1	151.5630	0.000	1	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	143.4770	1.742	2	143.4770	3.036	2	143.4770	3.036	2	142.8953	2.533	3	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	N[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	141.7320	0.000	1	141.7320	0.000	1	141.7320	0.000	1	142.8953	2.533	3	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	136.9870	0.141	2	136.9870	0.020	2	136.9870	0.020	2	139.9770	26.830	3	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]S)(COO)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])(H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]S)(COO){1|H<1>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	145.9570	0.000	1	145.9570	0.000	1	145.9570	0.000	1	139.9770	26.830	3	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C){1|Ni<4>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	144.4865	0.477	2	144.4865	0.228	2	144.4865	0.228	2	144.4865	0.228	2	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(CCrO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(CCrO){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	138.6943	0.412	3	138.6943	0.169	3	138.6943	0.169	3	140.4400	4.483	7	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a]C[5a,6a]C[5a])(N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](C[5a]C[5a,6a]C[5a])(N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	140.1530	0.372	2	140.1530	0.138	2	140.1530	0.138	2	140.4400	4.483	7	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CC[6a]C){1|C<4>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	143.6860	0.000	1	143.6860	0.000	1	143.6860	0.000	1	140.4400	4.483	7	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(COO){1|C<2>,1|C<4>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	143.0050	0.000	1	143.0050	0.000	1	143.0050	0.000	1	140.4400	4.483	7	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(CH3){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,2|S<2>,4|C<3>}	135.3670	0.000	1	135.3670	0.000	1	135.3670	0.000	1	135.3670	0.000	1	139.5625	30.280	86	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.9640	0.000	1	127.9640	0.000	1	127.9640	0.000	1	127.9640	0.000	1	128.4031	0.813	15	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.3753	0.251	3	127.3753	0.063	3	128.4401	0.931	13	128.4401	0.931	13	128.4031	0.813	15	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.5450	0.000	1	127.5450	0.000	1	128.4401	0.931	13	128.4401	0.931	13	128.4031	0.813	15	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.4700	0.000	1	127.5450	0.011	2	128.4401	0.931	13	128.4401	0.931	13	128.4031	0.813	15	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.6200	0.000	1	127.5450	0.011	2	128.4401	0.931	13	128.4401	0.931	13	128.4031	0.813	15	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|B<4>,1|N<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|H<1>,2|N<3>,3|C<3>}	129.2800	0.219	7	129.2800	0.048	7	128.4401	0.931	13	128.4401	0.931	13	128.4031	0.813	15	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.3620	0.000	1	128.3620	0.000	1	128.3620	0.000	1	128.3620	0.000	1	128.4031	0.813	15	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6])	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	130.2310	0.000	1	130.2310	0.000	1	130.2310	0.000	1	130.2310	0.000	1	130.2310	0.000	1	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6])	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5a,6a]N[5])(N[5,6]C[5,6]C[6]){1|Cu<4>,1|H<1>,2|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	136.0030	0.000	1	136.0030	0.000	1	136.0030	0.000	1	136.0030	0.000	1	136.0030	0.000	1	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|C<4>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<2>,2|C<3>}	126.0820	0.000	1	128.6750	13.447	2	128.6750	13.447	2	128.6750	13.447	2	129.5031	4.030	7	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:N[5]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	131.2680	0.000	1	128.6750	13.447	2	128.6750	13.447	2	128.6750	13.447	2	129.5031	4.030	7	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5]){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.7260	0.000	1	128.7260	0.000	1	128.7260	0.000	1	128.7260	0.000	1	129.5031	4.030	7	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	128.9720	0.000	1	128.9915	0.001	2	128.9915	0.001	2	130.0923	3.636	3	129.5031	4.030	7	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	129.0110	0.000	1	128.9915	0.001	2	128.9915	0.001	2	130.0923	3.636	3	129.5031	4.030	7	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	132.2940	0.000	1	132.2940	0.000	1	132.2940	0.000	1	130.0923	3.636	3	129.5031	4.030	7	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]H)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	130.1690	0.000	1	130.1690	0.000	1	130.1690	0.000	1	130.1690	0.000	1	129.5031	4.030	7	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|B<4>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	130.0935	0.199	2	130.0935	0.039	2	130.0935	0.039	2	129.9613	0.072	3	129.9613	0.072	3	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	129.6970	0.000	1	129.6970	0.000	1	129.6970	0.000	1	129.9613	0.072	3	129.9613	0.072	3	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	136.6823	0.458	3	136.6823	0.210	3	136.6823	0.210	3	136.6823	0.210	3	136.6823	0.210	3	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(S[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H){1|H<1>,1|S<2>,2|C<3>}	132.6300	0.000	1	132.6300	0.000	1	132.6300	0.000	1	132.6300	0.000	1	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a]H){1|C<4>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|N<2>,2|C<3>}	132.7637	0.625	3	132.7637	0.391	3	132.7637	0.391	3	132.7637	0.391	3	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	133.1605	0.473	2	133.1605	0.224	2	133.1605	0.224	2	131.6457	6.996	3	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.6160	0.000	1	128.6160	0.000	1	128.6160	0.000	1	131.6457	6.996	3	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH){3|C<3>}	134.2675	0.531	2	134.2675	0.282	2	134.2675	0.282	2	134.2675	0.282	2	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|Cl<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	131.3510	0.000	1	130.2050	2.627	2	130.2050	2.627	2	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	129.0590	0.000	1	130.2050	2.627	2	130.2050	2.627	2	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H){5|C<3>}	131.4590	0.000	1	131.4590	0.000	1	130.2703	1.068	3	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a]H){1|C<4>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H){4|C<3>}	129.6760	0.129	2	129.6760	0.017	2	130.2703	1.068	3	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	129.8720	0.000	1	129.8720	0.000	1	129.8720	0.000	1	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]H){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]H){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	129.2525	0.019	2	129.2525	0.000	2	129.2525	0.000	2	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	129.1572	0.659	4	129.1572	0.434	4	129.1572	0.434	4	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	130.8270	0.000	1	130.8270	0.000	1	129.9274	1.298	41	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	129.5475	0.637	2	129.5475	0.406	2	129.9274	1.298	41	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	128.9459	0.499	12	128.9597	0.224	14	129.9274	1.298	41	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	129.0425	0.385	2	128.9597	0.224	14	129.9274	1.298	41	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,1|N<3>,4|C<3>}	130.5831	1.140	20	130.5754	1.180	22	129.9274	1.298	41	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	130.4980	0.221	2	130.5754	1.180	22	129.9274	1.298	41	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	129.5040	0.216	2	129.5040	0.047	2	129.9274	1.298	41	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H){1|C<4>,2|N<3>,3|C<3>}	127.8678	0.739	8	127.8678	0.546	8	127.8678	0.546	8	129.6097	1.557	61	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:As[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|As<2>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a]){2|H<1>,6|C<3>}	126.6740	0.834	2	126.6740	0.696	2	126.6740	0.696	2	128.9293	15.608	3	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	133.4400	0.000	1	133.4400	0.000	1	133.4400	0.000	1	128.9293	15.608	3	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC){1|H<1>,1|N<3>,4|C<3>}	129.2880	0.000	1	129.2880	0.000	1	129.2880	0.000	1	129.2880	0.000	1	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	128.7020	0.000	1	128.7020	0.000	1	130.1740	2.405	9	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	128.5545	1.521	2	128.5545	2.313	2	130.1740	2.405	9	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	129.9035	0.323	2	129.9035	0.104	2	130.1740	2.405	9	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	132.4750	0.000	1	131.9160	0.625	2	130.1740	2.405	9	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	131.3570	0.000	1	131.9160	0.625	2	130.1740	2.405	9	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	130.3490	0.000	1	130.3490	0.000	1	130.1740	2.405	9	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a]){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	131.7670	0.000	1	131.7670	0.000	1	130.1740	2.405	9	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	134.5220	0.000	1	134.5220	0.000	1	134.5220	0.000	1	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	132.7390	0.109	2	132.7390	0.012	2	132.7390	0.012	2	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	132.2210	0.000	1	132.2210	0.000	1	132.3727	0.563	3	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	132.4485	1.044	2	132.4485	1.091	2	132.3727	0.563	3	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	132.0440	0.339	2	132.0440	0.115	2	131.7867	1.960	11	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	129.7725	0.552	2	129.7725	0.305	2	131.7867	1.960	11	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	133.5313	0.527	3	133.5313	0.278	3	131.7867	1.960	11	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	131.5110	0.215	2	131.5110	0.046	2	131.7867	1.960	11	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	131.2025	0.602	2	131.2025	0.362	2	131.7867	1.960	11	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|O<2>,4|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	131.0220	0.033	2	131.0220	0.001	2	130.3117	0.714	4	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|O<2>,4|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	129.8500	0.000	1	129.6015	0.124	2	130.3117	0.714	4	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|O<2>,4|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	129.3530	0.000	1	129.6015	0.124	2	130.3117	0.714	4	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	124.6840	0.000	1	124.6840	0.000	1	124.6840	0.000	1	131.1055	4.020	31	130.2946	3.622	105	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5,6a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	131.0050	0.000	1	131.0050	0.000	1	131.0050	0.000	1	131.0050	0.000	1	131.0050	0.000	1	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	132.5995	0.158	2	132.5995	0.025	2	132.5995	0.025	2	133.5040	1.132	4	133.5040	1.132	4	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(C[5a]N[5a]C){1|Ni<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	134.4085	0.313	2	134.4085	0.098	2	134.4085	0.098	2	133.5040	1.132	4	133.5040	1.132	4	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a]){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,4|C<3>}	125.1660	0.000	1	125.1660	0.000	1	125.1660	0.000	1	125.3355	0.057	2	125.2837	0.112	4	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a]){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,4|C<3>}	125.5050	0.000	1	125.5050	0.000	1	125.5050	0.000	1	125.3355	0.057	2	125.2837	0.112	4	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a]){1|N<3>,3|H<1>,6|C<3>}	125.5980	0.000	1	125.5980	0.000	1	125.5980	0.000	1	125.2320	0.268	2	125.2837	0.112	4	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<3>,7|C<3>}	124.8660	0.000	1	124.8660	0.000	1	124.8660	0.000	1	125.2320	0.268	2	125.2837	0.112	4	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){4|C<3>,5|H<1>}	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|N<2>}	C[5a](C[5a]N[5a,5a]N[5a])(C[5a]N[5a]C)(S[5a]N[5a]){1|C<3>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	122.6695	1.067	2	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:4:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,4|C<3>}	123.4000	0.000	1	123.4000	0.000	1	123.4000	0.000	1	123.4000	0.000	1	122.6695	1.067	2	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:2:2:	3:3:2:	N[5a,6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]S[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,6]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,6]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){2|N<2>,3|C<3>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	124.4420	0.000	1	124.4420	0.000	1	124.4420	0.000	1	124.4420	0.000	1	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:2:	3:3:2:	N[5a,6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]C[5a]O[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]C[5a]O[5a])(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[5a]N[5a])(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>}	123.1470	0.707	2	123.1470	0.500	2	123.1470	0.500	2	123.1470	0.500	2	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a]){1|N<2>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<4>,1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	124.7930	0.293	2	124.7930	0.086	2	124.7930	0.086	2	124.7930	0.086	2	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	127.5080	2.466	2	127.5080	6.083	2	127.1203	1.597	7	127.1555	1.379	8	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	125.7240	0.000	1	125.7240	0.000	1	127.1203	1.597	7	127.1555	1.379	8	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	127.2755	0.620	4	127.2755	0.385	4	127.1203	1.597	7	127.1555	1.379	8	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	127.4020	0.000	1	127.4020	0.000	1	127.4020	0.000	1	127.1555	1.379	8	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	4:3:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]O)(S[5a]C[5a])	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]O)(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	124.4380	0.000	1	124.4380	0.000	1	124.4380	0.000	1	124.4380	0.000	1	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a,6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){2|F<1>,2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a,6])(C[5a]N[5a]H){1|B<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	124.3260	0.000	1	124.3260	0.000	1	124.3260	0.000	1	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|B<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	125.3340	0.000	1	125.3340	0.000	1	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	125.9380	0.000	1	125.4585	0.460	2	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	124.9790	0.000	1	125.4585	0.460	2	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	124.9680	0.000	1	124.9680	0.000	1	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<2>,1|C<4>,1|F<1>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	123.8575	0.224	2	123.8575	0.050	2	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	127.3695	0.001	2	126.9647	0.219	4	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	126.5910	0.000	1	126.9647	0.219	4	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	126.5290	0.000	1	126.9647	0.219	4	125.6793	1.682	10	125.5563	1.680	11	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]Br)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br){2|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]Br)(N[5a]C[5a]H){3|Br<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	125.8880	0.000	1	125.8880	0.000	1	125.6109	3.193	22	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	123.5523	0.573	8	123.5523	0.328	8	125.6109	3.193	22	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Cl<1>,1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	125.8995	0.223	2	125.8995	0.050	2	125.6109	3.193	22	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	126.5980	0.000	1	127.0305	0.839	11	125.6109	3.193	22	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	127.1704	0.485	5	127.0305	0.839	11	125.6109	3.193	22	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	127.0250	1.877	3	127.0305	0.839	11	125.6109	3.193	22	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	126.9050	0.288	2	127.0305	0.839	11	125.6109	3.193	22	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	127.5640	0.000	1	127.5640	0.000	1	127.5640	0.000	1	125.6958	3.214	23	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	126.9620	0.000	1	126.9620	0.000	1	126.9620	0.000	1	122.5913	14.526	3	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H){1|B<4>,1|H<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H){1|B<4>,1|H<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	120.4060	0.631	2	120.4060	0.398	2	120.4060	0.398	2	122.5913	14.526	3	125.5275	3.786	51	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	127.8160	0.000	1	127.8160	0.000	1	127.8160	0.000	1	126.9610	2.471	3	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	125.1470	0.000	1	125.1470	0.000	1	126.5335	3.845	2	126.9610	2.471	3	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	127.9200	0.000	1	127.9200	0.000	1	126.5335	3.845	2	126.9610	2.471	3	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.9230	0.000	1	122.9230	0.000	1	122.8723	0.002	3	122.8723	0.002	3	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	122.8470	0.000	2	122.8470	0.000	2	122.8723	0.002	3	122.8723	0.002	3	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]N[5a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]N[5a]H){3|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2){1|N<2>,3|H<1>,4|C<3>}	125.7505	0.155	2	125.7505	0.024	2	125.7505	0.024	2	122.7132	8.828	5	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.1990	0.000	1	122.1990	0.000	1	122.1990	0.000	1	122.7132	8.828	5	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.9330	1.056	2	119.9330	1.116	2	119.9330	1.116	2	122.7132	8.828	5	123.9151	7.858	11	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:3:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){5|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.3315	1.074	4	124.3315	1.153	4	124.3315	1.153	4	124.3315	1.153	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.9898	0.920	4	125.9898	0.846	4	122.9070	16.516	7	122.9070	16.516	7	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.7967	1.982	3	118.7967	3.928	3	122.9070	16.516	7	122.9070	16.516	7	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:3:2:	3:3:1:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,3|C<3>}	123.8610	0.000	1	123.8610	0.000	1	123.8610	0.000	1	123.8610	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[5a]S[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]C[5a]2){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[5a]S[5a]N){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,4|C<3>}	124.4820	0.000	1	124.4820	0.000	1	124.4820	0.000	1	125.0360	0.282	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[5a]O[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[5a]C[5a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[5a]O[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	125.3130	0.321	2	125.3130	0.103	2	125.3130	0.103	2	125.0360	0.282	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	134.7880	0.000	1	134.7880	0.000	1	134.7880	0.000	1	134.7880	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,2|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|N<2>}	123.2670	1.410	2	123.2670	1.988	2	123.2670	1.988	2	124.3935	1.661	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){2|N<2>}	125.4850	0.000	1	125.4850	0.000	1	125.4850	0.000	1	124.3935	1.661	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|O<2>}	124.6258	1.188	5	124.6258	1.410	5	124.6258	1.410	5	124.3935	1.661	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]2)(N[5a]O[5a])	C[5a](C[5a]N[5a]2)(N[5a]O[5a])(NN)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2	C[5a](C[5a]N[5a]N)(N[5a]N[5a]2)(N[5a]O[5a]){2|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]O[5a])(NN){2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2{1|O<2>,4|N<2>}	126.5010	0.000	1	126.5010	0.000	1	126.5010	0.000	1	127.2400	1.092	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]O[5a]){1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){2|N<2>}	127.9790	0.000	1	127.9790	0.000	1	127.9790	0.000	1	127.2400	1.092	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2{2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){2|N<2>}	126.2460	0.000	1	126.2460	0.000	1	126.2460	0.000	1	126.2460	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:3:	C[5a]-3:N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(CN){3|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|C<2>,1|C<3>,1|N<2>,2|H<1>}	135.2370	0.000	1	135.2370	0.000	1	135.2370	0.000	1	129.8243	22.381	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	127.1180	0.904	2	127.1180	0.817	2	127.1180	0.817	2	129.8243	22.381	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.5510	0.000	1	121.5510	0.000	1	121.5510	0.000	1	121.5510	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5a]N[5a]2){2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	127.4010	0.000	1	127.4010	0.000	1	127.4010	0.000	1	127.4010	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CC3){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	130.6010	0.000	1	130.6010	0.000	1	130.6010	0.000	1	130.6010	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:4:	3:3:3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(N[5a]C[5a])(CCHH){3|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	126.4100	0.000	1	126.4100	0.000	1	126.4100	0.000	1	126.4100	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	128.8880	0.000	1	128.8880	0.000	1	126.8792	2.766	5	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	127.1255	0.295	2	127.1255	0.087	2	126.8792	2.766	5	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	126.9870	0.000	1	126.9870	0.000	1	126.8792	2.766	5	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]O[5a])	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]2)(H){1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.2700	0.000	1	124.2700	0.000	1	126.8792	2.766	5	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(H){1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	133.0200	0.000	1	133.0200	0.000	1	133.0200	0.000	1	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){3|H<1>,4|C<3>}	127.0530	0.000	1	127.0530	0.000	1	127.7314	1.784	5	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	127.7810	0.000	1	127.9010	2.187	4	127.7314	1.784	5	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|C<3>,1|I<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	127.9410	1.809	3	127.9010	2.187	4	127.7314	1.784	5	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|B<3>,1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	129.6400	0.000	1	129.6400	0.000	1	129.6400	0.000	1	127.9761	4.793	12	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	127.5700	0.344	2	127.5700	0.118	2	127.4096	0.172	17	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	127.5610	0.000	1	127.4317	0.168	14	127.4096	0.172	17	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	127.4883	0.559	6	127.4317	0.168	14	127.4096	0.172	17	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	127.3647	0.303	7	127.4317	0.168	14	127.4096	0.172	17	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	126.7790	0.000	1	126.7790	0.000	1	127.4096	0.172	17	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	128.2700	0.034	2	128.2700	0.001	2	127.6620	0.495	4	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	127.0540	0.079	2	127.0540	0.006	2	127.6620	0.495	4	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a]){3|H<1>,6|C<3>}	126.3870	0.290	2	126.2015	0.135	4	126.2015	0.135	4	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a](N[5a]C[5a,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a]){3|H<1>,6|C<3>}	126.0160	0.427	2	126.2015	0.135	4	126.2015	0.135	4	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	127.3370	1.199	3	127.3370	1.437	3	127.6811	0.631	7	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]O){3|H<1>,4|C<3>}	127.9393	0.311	4	127.9393	0.097	4	127.6811	0.631	7	127.3495	0.481	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,3|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	128.4690	0.000	1	128.4690	0.000	1	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	124.4020	1.243	2	124.4020	1.545	2	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,3|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	127.5660	0.000	1	127.5660	0.000	1	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,3|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	124.7200	0.000	1	124.7200	0.000	1	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	127.6380	0.000	1	127.6380	0.000	1	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	126.4250	0.000	1	126.4500	7.903	4	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	126.4583	3.443	3	126.4500	7.903	4	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]O)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|O<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]O)(N[5a]O[5a]){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	124.6590	0.239	2	124.6590	0.057	2	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	122.9700	0.000	1	122.9700	0.000	1	125.7912	4.693	13	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]O[5a]){1|N<3>,1|O<1>,3|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	125.0360	1.553	4	125.0360	2.412	4	125.6520	1.264	10	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	126.4700	0.493	3	126.0627	0.321	6	125.6520	1.264	10	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	125.6553	0.250	3	126.0627	0.321	6	125.6520	1.264	10	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	124.9098	0.540	13	124.7313	0.473	21	124.7313	0.473	21	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	124.4412	0.835	8	124.7313	0.473	21	124.7313	0.473	21	125.1685	2.331	45	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|C<3>,1|N<2>}	127.0970	0.000	1	126.7270	0.274	2	126.7270	0.274	2	125.4625	0.818	10	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|C<3>,1|N<2>}	126.3570	0.000	1	126.7270	0.274	2	126.7270	0.274	2	125.4625	0.818	10	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|N<2>,1|N<3>}	125.1464	0.664	8	125.1464	0.441	8	125.1464	0.441	8	125.4625	0.818	10	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){1|N<2>,1|N<3>}	124.4695	0.363	2	124.4695	0.132	2	124.4695	0.132	2	124.4695	0.132	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|N<2>,2|N<3>}	127.0450	0.000	1	127.0450	0.000	1	127.0450	0.000	1	127.0450	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(O[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|O<2>,3|C<3>}	122.2330	0.000	1	122.2330	0.000	1	122.2330	0.000	1	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	120.8990	1.565	4	120.8175	1.495	6	121.2021	1.575	8	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	120.6545	0.214	2	120.8175	1.495	6	121.2021	1.575	8	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(N[5a]C[5a]){1|Os<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	122.3560	0.000	2	122.3560	0.000	2	121.2021	1.575	8	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a]){1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){1|C<3>,1|N<2>}	123.9445	3.160	2	125.3143	10.622	3	125.3143	10.622	3	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(N[5a]O[5a]){1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){1|C<3>,1|N<2>}	128.0540	0.000	1	125.3143	10.622	3	125.3143	10.622	3	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H){2|O<2>,3|C<3>}	122.4880	0.000	1	122.4880	0.000	1	122.4880	0.000	1	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	120.5650	0.000	1	121.3913	1.389	3	122.0332	2.574	4	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	121.8045	1.324	2	121.3913	1.389	3	122.0332	2.574	4	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	123.9590	0.000	1	123.9590	0.000	1	122.0332	2.574	4	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	124.4255	0.493	2	124.4255	0.243	2	124.4255	0.243	2	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.5565	0.795	27	121.5565	0.632	27	121.6745	0.753	31	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	122.4712	1.040	4	122.4712	1.082	4	121.6745	0.753	31	121.9726	2.330	51	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NN){1|C<3>,1|N<2>}	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	127.6900	4.429	6	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	127.1150	0.000	1	127.1150	0.000	1	127.1150	0.000	1	127.6900	4.429	6	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	129.4930	0.000	1	128.7947	0.718	4	128.7947	0.718	4	127.6900	4.429	6	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	128.0410	0.000	1	128.7947	0.718	4	128.7947	0.718	4	127.6900	4.429	6	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	128.8225	1.047	2	128.7947	0.718	4	128.7947	0.718	4	127.6900	4.429	6	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H){1|C<3>,1|N<2>}	125.1130	0.000	1	125.1130	0.000	1	124.3963	0.546	3	126.7687	24.337	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|C<3>,1|N<2>}	124.0380	0.567	2	124.0380	0.322	2	124.3963	0.546	3	126.7687	24.337	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]2)(O[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|N<2>,2|C<3>,2|H<1>}	138.8420	0.000	1	138.8420	0.000	1	138.8420	0.000	1	126.7687	24.337	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	125.5835	0.043	2	125.5298	0.159	4	125.5298	0.159	4	126.7687	24.337	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	125.9580	0.000	1	125.5298	0.159	4	125.5298	0.159	4	126.7687	24.337	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	124.9940	0.000	1	125.5298	0.159	4	125.5298	0.159	4	126.7687	24.337	8	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]N[5a]2)(C[5a]S[5a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]S[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH){1|H<1>,1|N<2>,3|C<3>}	124.1300	0.000	1	124.1300	0.000	1	124.1300	0.000	1	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<3>}	125.7680	0.000	1	125.7680	0.000	1	125.7680	0.000	1	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|O<2>}	127.8500	0.000	1	127.8500	0.000	1	127.8500	0.000	1	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	126.1745	0.967	6	125.6552	1.601	8	125.2472	2.913	13	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	124.0975	0.250	2	125.6552	1.601	8	125.2472	2.913	13	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	124.3300	0.000	1	124.3300	0.000	1	125.2472	2.913	13	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	123.8023	2.385	3	123.8023	5.687	3	125.2472	2.913	13	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|C<3>,1|O<1>,1|S<2>,2|N<3>}	127.2340	0.000	1	127.2340	0.000	1	125.2472	2.913	13	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH){1|S<2>,4|C<3>}	126.5440	0.000	1	126.5440	0.000	1	126.4573	0.014	3	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,4|C<3>}	126.3200	0.000	1	126.3200	0.000	1	126.4573	0.014	3	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	126.5080	0.000	1	126.5080	0.000	1	126.4573	0.014	3	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	123.9378	0.443	6	123.9378	0.197	6	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	123.3150	0.229	2	123.3150	0.052	2	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	123.7185	0.383	2	123.7185	0.146	2	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|N<2>,2|N<3>}	122.9380	0.000	1	124.8735	7.492	2	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	126.8090	0.000	1	124.8735	7.492	2	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	125.1230	0.000	1	124.1040	2.077	2	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	123.0850	0.000	1	124.1040	2.077	2	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	124.9590	0.000	1	124.9590	0.000	1	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	124.6067	0.663	26	124.6067	0.439	26	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	125.6970	0.000	1	125.6970	0.000	1	124.4305	0.731	42	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	124.3650	0.074	2	124.3650	0.005	2	124.3650	0.005	2	124.7642	1.493	63	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2{1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){3|C<3>}	122.4840	0.000	1	122.4840	0.000	1	122.4840	0.000	1	126.4813	14.026	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,2|N<3>}	129.9090	0.000	1	129.9090	0.000	1	128.4800	4.084	2	126.4813	14.026	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	127.0510	0.000	1	127.0510	0.000	1	128.4800	4.084	2	126.4813	14.026	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>,1|S<2>}	129.3280	0.000	1	129.3280	0.000	1	127.6800	3.110	3	127.6800	3.110	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	126.8560	1.465	2	126.8560	2.147	2	127.6800	3.110	3	127.6800	3.110	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(C[5a]N[5a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){5|C<3>}	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	123.2743	7.788	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<3>,1|O<1>,3|N<3>}	120.6630	0.000	1	120.6630	0.000	1	120.6630	0.000	1	123.2743	7.788	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a,6]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|B<4>,1|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,3|C<3>}	126.2150	0.000	1	126.2150	0.000	1	126.2150	0.000	1	123.2743	7.788	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|N<2>,3|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(COO){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a]){3|C<3>}	127.7700	0.000	1	127.7700	0.000	1	127.7700	0.000	1	127.7700	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH){1|H<1>,1|N<3>,3|C<3>}	124.8060	0.000	1	124.8060	0.000	1	124.8060	0.000	1	124.8060	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,4|C<3>}	121.9645	0.042	2	121.9645	0.002	2	121.9645	0.002	2	121.9645	0.002	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:4:2:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	128.2490	1.447	3	127.9453	1.765	4	127.9453	1.765	4	127.9453	1.765	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:4:2:	3:3:2:	N[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>,2|N<2>}	C[5a](C[5a]N[5a]S[5a])(C[5]C[5]2Fe)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	127.0340	0.000	1	127.9453	1.765	4	127.9453	1.765	4	127.9453	1.765	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	123.7545	0.262	2	123.4580	0.298	3	123.4580	0.298	3	123.2340	0.399	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.8650	0.000	1	123.4580	0.298	3	123.4580	0.298	3	123.2340	0.399	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(I)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(I){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a]){1|C<3>,1|I<1>,1|S<2>,3|H<1>}	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	123.2340	0.399	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	123.4360	0.000	1	123.4360	0.000	1	123.1440	0.171	2	123.1440	0.171	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	122.8520	0.000	1	122.8520	0.000	1	123.1440	0.171	2	123.1440	0.171	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	120.3940	0.000	1	120.3940	0.000	1	120.7468	4.676	4	120.7468	4.676	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|N<3>}	120.8643	2.633	3	120.8643	6.932	3	120.7468	4.676	4	120.7468	4.676	4	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|I<1>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|I<1>,2|N<2>}	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	122.4255	3.320	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C){4|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH){1|C<3>,1|N<2>,1|O<2>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	122.4255	3.320	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H){6|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|N<2>,2|S<2>}	118.3775	0.624	4	118.3775	0.389	4	118.3775	0.389	4	119.0875	1.449	6	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|C<3>,2|H<1>,2|N<2>}	120.5075	0.166	2	120.5075	0.028	2	120.5075	0.028	2	119.0875	1.449	6	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	122.3070	0.000	1	122.3070	0.000	1	123.5485	3.083	2	123.5485	3.083	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,1|O<2>}	124.7900	0.000	1	124.7900	0.000	1	123.5485	3.083	2	123.5485	3.083	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2{2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,5|N<3>}	130.1510	0.000	1	130.1510	0.000	1	130.1510	0.000	1	130.1510	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	133.6730	0.000	1	133.6730	0.000	1	133.6730	0.000	1	133.3620	0.400	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	133.7790	0.000	1	133.7790	0.000	1	133.7790	0.000	1	133.3620	0.400	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,6|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,7|C<3>}	132.6340	0.000	1	132.6340	0.000	1	132.6340	0.000	1	133.3620	0.400	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){2|N<2>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2{1|N<2>,1|N<3>,2|C<4>}	126.2900	0.000	1	126.2900	0.000	1	126.2900	0.000	1	126.2900	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|Zn<5>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.0590	0.000	1	122.0590	0.000	1	123.2876	1.430	5	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	123.6010	0.000	1	123.6010	0.000	1	123.2876	1.430	5	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	122.8020	0.290	2	122.8020	0.084	2	123.2876	1.430	5	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(H){1|C<3>,1|I<1>,1|N<2>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a]){1|C<3>,1|I<1>,1|S<2>,3|H<1>}	125.1740	0.000	1	125.1740	0.000	1	123.2876	1.430	5	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,2|N<3>,2|O<1>}	123.3170	0.000	1	123.3170	0.000	1	123.3170	0.000	1	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	127.5340	0.000	1	127.5340	0.000	1	128.5667	1.002	4	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	129.3585	0.617	2	129.3585	0.381	2	128.5667	1.002	4	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	128.0160	0.000	1	128.0160	0.000	1	128.5667	1.002	4	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a]){3|H<1>,4|C<3>}	130.1180	0.000	1	130.1180	0.000	1	130.1180	0.000	1	125.8309	9.571	11	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]S)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a]){1|N<3>,3|H<1>,6|C<3>}	125.5020	0.000	1	125.5020	0.000	1	125.5020	0.000	1	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Br)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(N[5a]C[5a]2){2|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Br)(Br){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	125.4790	0.000	1	125.4790	0.000	1	124.8495	0.793	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(Br)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(Br){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	124.2200	0.000	1	124.2200	0.000	1	124.8495	0.793	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,2|Cl<1>,1|N<3>,2|C<3>}	124.3140	0.132	2	124.3140	0.017	2	124.3140	0.017	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)2{1|N<3>,2|C<3>,3|H<1>}	124.6200	0.000	1	124.6200	0.000	1	125.9110	3.333	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2){1|Cl<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	127.2020	0.000	1	127.2020	0.000	1	125.9110	3.333	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	130.7740	0.000	1	130.7740	0.000	1	130.7740	0.000	1	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[5a]C[5a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2{1|B<4>,2|H<1>,3|C<3>}	126.6615	0.129	2	126.6615	0.017	2	126.6615	0.017	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H){1|B<4>,2|H<1>,4|C<3>}	126.5995	0.654	2	126.5995	0.428	2	126.5995	0.428	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	129.7140	0.000	1	129.7140	0.000	1	129.7140	0.000	1	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(N[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|Cu<5>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O){1|Cu<5>,2|H<1>,3|C<3>}	127.6765	0.190	2	127.6765	0.036	2	127.6765	0.036	2	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]Ir)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]Ir)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]Ir)(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|Ir<6>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]Ir){2|H<1>,5|C<3>}	140.5070	0.000	1	140.5070	0.000	1	140.5070	0.000	1	127.4076	15.718	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|O<2>,2|C<3>}	120.9640	0.000	1	120.9640	0.000	1	120.9640	0.000	1	120.8243	9.909	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<2>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|C<2>,1|C<3>,1|S<2>}	123.9000	0.000	1	123.9000	0.000	1	123.9000	0.000	1	120.8243	9.909	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	120.8243	9.909	3	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|S<2>,2|C<3>}	123.9020	0.000	1	123.9020	0.000	1	123.9020	0.000	1	124.2370	0.224	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	124.5720	0.000	1	124.5720	0.000	1	124.5720	0.000	1	124.2370	0.224	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H){1|O<2>,3|C<3>}	120.9750	0.000	1	120.9750	0.000	1	120.9750	0.000	1	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H){1|S<2>,3|C<3>}	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	122.8925	0.456	2	122.8925	0.208	2	122.1341	3.818	10	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	120.2782	1.080	4	121.9445	4.673	8	122.1341	3.818	10	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	123.6107	1.528	4	121.9445	4.673	8	122.1341	3.818	10	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H){2|O<2>,3|C<3>}	119.9420	0.000	1	119.9420	0.000	1	120.2149	3.886	7	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|O<2>,4|C<3>}	117.0690	0.000	1	117.0690	0.000	1	120.2149	3.886	7	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|O<2>}	120.1623	0.235	4	120.1623	0.055	4	120.2149	3.886	7	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	123.8440	0.000	1	123.8440	0.000	1	120.2149	3.886	7	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	120.3235	0.432	2	120.3235	0.187	2	120.3235	0.187	2	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|S<2>,4|C<3>}	120.0950	0.000	1	120.0950	0.000	1	121.7146	4.060	7	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|S<2>,2|C<4>}	119.6895	0.418	2	119.6895	0.175	2	121.7146	4.060	7	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|H<1>,2|S<2>}	123.1320	1.332	4	123.1320	1.775	4	121.7146	4.060	7	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a]N)(N[5a]C[5a,6a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<2>,1|N<3>,2|H<1>}	124.0660	0.000	1	124.0660	0.000	1	121.7180	11.026	2	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	119.3700	0.000	1	119.3700	0.000	1	121.7180	11.026	2	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.1980	6.281	2	121.1980	39.445	2	121.1980	39.445	2	121.3392	4.903	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	126.5840	0.000	1	126.5840	0.000	1	126.5840	0.000	1	125.5030	2.337	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	124.4220	0.000	1	124.4220	0.000	1	124.4220	0.000	1	125.5030	2.337	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(COO){1|S<2>,3|C<3>}	125.7370	0.000	1	125.7370	0.000	1	125.7370	0.000	1	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5a]O[5a])(N[5a]C[5,5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5a]O[5a])(N[5a]C[5,5a]N){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH){1|O<2>,5|C<3>}	121.3490	0.723	2	121.3490	0.522	2	121.3490	0.522	2	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	123.8620	0.000	1	123.8620	0.000	1	123.8620	0.000	1	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)2(C[6]C[6]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)2(C[6]C[6]2){1|C<2>,2|S<2>,3|C<3>,4|H<1>}	125.8475	0.042	2	125.8475	0.002	2	125.8475	0.002	2	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	125.8633	0.183	6	125.8633	0.034	6	125.8633	0.034	6	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	122.1830	0.000	1	122.1830	0.000	1	122.1830	0.000	1	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	122.7940	0.000	1	122.7940	0.000	1	122.7940	0.000	1	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H){1|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|S<2>,2|H<1>,5|C<3>}	123.0930	0.000	1	123.0930	0.000	1	123.0930	0.000	1	124.4828	3.395	15	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	126.1060	0.000	1	126.1060	0.000	1	126.0420	0.008	2	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH){1|O<2>,3|C<3>}	125.9780	0.000	1	125.9780	0.000	1	126.0420	0.008	2	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	126.5600	0.000	1	126.3345	0.458	6	126.2894	0.396	7	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	126.2894	0.747	5	126.3345	0.458	6	126.2894	0.396	7	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH){1|S<2>,3|C<3>}	126.0190	0.000	1	126.0190	0.000	1	126.2894	0.396	7	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|O<2>,4|C<3>}	122.7900	0.000	1	122.7900	0.000	1	122.7900	0.000	1	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)2(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)2(CCHH){2|Br<1>,2|C<3>,2|S<2>}	123.0200	0.007	2	123.0200	0.000	2	125.0703	7.155	9	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	126.0530	0.000	1	126.0530	0.000	1	125.0703	7.155	9	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)2(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	123.6475	0.545	4	125.5900	9.250	6	125.0703	7.155	9	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]2)2(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	129.4750	0.280	2	125.5900	9.250	6	125.0703	7.155	9	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	126.6100	0.000	1	126.6100	0.000	1	126.6100	0.000	1	125.5572	3.934	20	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]O[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]O[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	122.0770	0.000	1	122.0770	0.000	1	120.7445	3.551	2	120.7445	3.551	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	119.4120	0.000	1	119.4120	0.000	1	120.7445	3.551	2	120.7445	3.551	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N){1|C<3>,1|N<2>,3|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N){1|C<3>,1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH){1|C<3>,3|N<3>}	122.1755	0.409	2	122.1755	0.168	2	122.1755	0.168	2	122.1755	0.168	2	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3){1|C<3>,3|N<3>}	128.3572	1.824	4	128.3572	3.328	4	125.0988	9.595	32	125.0988	9.595	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	122.5655	0.621	4	122.5655	0.385	4	125.0988	9.595	32	125.0988	9.595	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	122.4475	0.586	4	122.4475	0.343	4	125.0988	9.595	32	125.0988	9.595	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	125.2020	3.890	10	125.2020	15.131	10	125.0988	9.595	32	125.0988	9.595	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<3>,1|N<3>,1|P<4>}	123.7245	0.405	2	123.7245	0.164	2	125.0988	9.595	32	125.0988	9.595	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	126.2765	2.321	8	126.2765	5.386	8	125.0988	9.595	32	125.0988	9.595	32	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|F<1>,3|H<1>,6|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	120.6710	1.116	2	120.6710	1.245	2	120.6710	1.245	2	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<3>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,4|C<3>}	120.2560	1.885	2	120.2560	3.554	2	120.2560	3.554	2	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<2>,3|C<3>}	123.2234	0.664	5	123.2234	0.441	5	123.2234	0.441	5	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|B<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	123.4615	1.126	2	123.4615	1.269	2	125.4832	2.955	6	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	127.0310	0.298	2	127.0310	0.089	2	125.4832	2.955	6	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	125.9570	0.058	2	125.9570	0.003	2	125.4832	2.955	6	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){3|C<3>}	120.9835	0.367	2	120.9835	0.135	2	121.3789	0.250	7	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	121.5447	0.556	4	121.5370	0.232	5	121.3789	0.250	7	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	121.5060	0.000	1	121.5370	0.232	5	121.3789	0.250	7	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H){1|C<4>,2|N<3>,3|C<3>}	116.6130	0.538	8	116.6130	0.289	8	118.9651	5.966	17	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.4080	0.707	2	119.4080	0.500	2	118.9651	5.966	17	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	121.3617	0.788	3	121.3617	0.620	3	118.9651	5.966	17	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	122.2220	0.000	1	122.1225	0.020	2	118.9651	5.966	17	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.0230	0.000	1	122.1225	0.020	2	118.9651	5.966	17	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.1780	0.222	2	121.1780	0.049	2	118.9651	5.966	17	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	123.8185	0.258	2	121.2002	5.933	5	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	119.4547	0.639	3	121.2002	5.933	5	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	124.1440	0.000	1	124.1440	0.000	1	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	123.7513	1.811	6	123.7513	3.281	6	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	120.0955	0.134	2	120.0955	0.018	2	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|O<2>,4|C<3>}	118.5710	0.000	1	119.5104	12.605	15	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|C<4>,2|N<3>}	118.8905	3.515	12	119.5104	12.605	15	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	123.6995	0.120	2	119.5104	12.605	15	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,4|C<3>}	117.3685	0.080	2	117.3685	0.006	2	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|N<3>}	119.5080	0.000	1	119.5080	0.000	1	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	118.4260	0.000	1	118.1302	1.098	6	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	118.0710	1.160	5	118.1302	1.098	6	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.0260	0.000	1	123.0260	0.000	1	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	120.3200	0.000	1	120.3200	0.000	1	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	119.2680	0.714	2	119.2680	0.510	2	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	121.2223	0.792	4	121.2223	0.627	4	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	123.0270	0.000	1	123.0270	0.000	1	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	119.4075	0.257	2	119.4075	0.066	2	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	123.9373	0.939	3	123.9373	0.882	3	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.1857	0.414	3	121.1857	0.171	3	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	121.9270	0.808	5	122.4519	1.239	7	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	123.7640	0.030	2	122.4519	1.239	7	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	120.9070	1.635	2	120.2044	18.283	42	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	124.1670	0.000	1	120.2044	18.283	42	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	123.8090	0.000	1	120.2044	18.283	42	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	124.5557	1.140	11	120.2044	18.283	42	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	124.7380	0.000	1	120.2044	18.283	42	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	117.8440	3.636	26	120.2044	18.283	42	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	124.7434	2.479	11	124.5930	5.857	12	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	122.9390	0.000	1	124.5930	5.857	12	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|H<1>,2|N<3>}	123.9190	0.375	3	123.9190	0.141	3	121.0515	12.579	119	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	119.7040	0.000	1	119.7040	0.000	1	119.7040	0.000	1	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Zn<5>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(C[5a]C[5a]C){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,4|C<3>}	119.2830	0.422	4	119.2830	0.178	4	122.4156	20.996	8	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Re)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Re<6>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Re)(C[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	132.2290	0.000	1	132.2290	0.000	1	122.4156	20.996	8	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Rh)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Rh<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Rh)(C[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	124.4190	0.000	1	124.4190	0.000	1	122.4156	20.996	8	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Zn<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(C[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	122.7725	2.572	2	122.7725	6.614	2	122.4156	20.996	8	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){4|C<3>,5|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	123.0760	0.000	1	123.0760	0.000	1	123.0760	0.000	1	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]Br)(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]Br)(N[5a]C[5a]H){3|Br<1>,1|B<4>,2|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br){2|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(H){2|Br<1>,1|C<3>,1|N<3>}	124.2870	0.000	1	124.2870	0.000	1	125.2237	2.951	24	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|C<4>,2|N<3>}	123.3088	1.230	8	123.3088	1.513	8	125.2237	2.951	24	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Cl<1>,1|B<4>,2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	124.9470	0.598	2	124.9470	0.358	2	125.2237	2.951	24	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	126.5562	0.846	5	126.5562	0.716	5	125.2237	2.951	24	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	126.2550	0.000	1	126.3563	0.247	6	125.2237	2.951	24	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,3|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	126.3766	0.553	5	126.3563	0.247	6	125.2237	2.951	24	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	126.8995	0.511	2	126.8995	0.261	2	125.2237	2.951	24	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]O[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]O[5a]C){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	122.9680	0.068	2	122.9680	0.005	2	122.9680	0.005	2	121.6486	12.381	196	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){2|N<2>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){2|N<2>,6|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	122.7075	2.232	6	122.7075	4.981	6	122.7075	4.981	6	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	125.4860	0.000	1	125.4860	0.000	1	124.9585	0.557	2	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|Si<4>,1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	124.4310	0.000	1	124.4310	0.000	1	124.9585	0.557	2	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	124.4645	4.638	2	124.4645	21.510	2	124.4645	21.510	2	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	123.1420	0.000	1	123.1420	0.000	1	124.9828	2.917	6	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	124.8885	1.442	4	124.8885	2.081	4	124.9828	2.917	6	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	127.2010	0.000	1	127.2010	0.000	1	124.9828	2.917	6	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.8330	0.000	1	128.8330	0.000	1	128.8330	0.000	1	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2{2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,5|N<3>}	127.0650	0.000	1	127.0650	0.000	1	127.0650	0.000	1	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NOO){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|N<3>}	132.3760	0.000	1	132.3760	0.000	1	132.3760	0.000	1	124.9085	9.271	19	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N){1|C<4>,1|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<3>,7|C<3>}	127.7400	0.000	1	127.7400	0.000	1	127.7400	0.000	1	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.8010	0.000	1	121.8010	0.000	1	121.8010	0.000	1	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	124.8180	0.000	1	124.8180	0.000	1	124.8180	0.000	1	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC){1|C<3>,1|N<3>,2|H<1>}	123.2517	1.729	7	123.2517	2.989	7	124.0926	1.863	24	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	N[5a](C[5a]C[5a]2)2(NCC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)2(NCC){2|C<3>,2|H<1>,2|N<3>}	124.3554	0.745	7	124.4388	1.121	17	124.0926	1.863	24	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	N[5a](C[5a]C[5a]2)2(NCC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)2(NCC){2|C<3>,2|H<1>,2|N<3>}	124.4972	1.270	10	124.4388	1.121	17	124.0926	1.863	24	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(N[5a]C[5a]2){2|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO){2|Br<1>,2|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	127.3430	0.000	1	127.3430	0.000	1	126.9416	2.712	5	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(CC[6a]O){2|Cl<1>,2|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,2|Cl<1>,1|N<3>,2|C<3>}	127.9690	0.304	2	127.9690	0.092	2	126.9416	2.712	5	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)2{1|N<3>,2|C<3>,3|H<1>}	127.3670	0.000	1	127.3670	0.000	1	126.9416	2.712	5	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2){1|Cl<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	124.0600	0.000	1	124.0600	0.000	1	126.9416	2.712	5	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|S<4>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	125.7580	0.000	1	125.7580	0.000	1	125.7580	0.000	1	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	122.1720	0.000	1	122.1720	0.000	1	122.1720	0.000	1	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.2525	0.687	2	122.2525	0.471	2	122.2525	0.471	2	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHN)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHN){3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|N<2>,2|H<1>,3|C<3>}	129.5573	0.327	3	129.5573	0.107	3	129.7020	0.137	5	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHO){3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|N<2>,2|H<1>,3|C<3>}	129.6210	0.000	1	129.6210	0.000	1	129.7020	0.137	5	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]S)(COO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]S)(COO){3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)2{1|N<2>,3|C<3>}	130.2170	0.000	1	130.2170	0.000	1	129.7020	0.137	5	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){3|H<1>,5|C<3>}	130.8460	1.308	2	130.8460	1.711	2	130.8460	1.711	2	125.2922	7.347	44	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	124.4890	0.000	1	124.4890	0.000	1	123.6536	0.716	5	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|C<4>,1|H<1>,4|C<3>}	123.4720	1.410	2	123.4720	1.988	2	123.6536	0.716	5	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){2|H<1>,4|C<3>}	123.4175	0.040	2	123.4175	0.002	2	123.6536	0.716	5	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<2>,1|C<4>,1|F<1>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	121.6485	0.698	2	121.5860	0.255	3	121.5860	0.255	3	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	121.4610	0.000	1	121.5860	0.255	3	121.5860	0.255	3	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){3|C<3>}	122.2600	0.000	1	122.2600	0.000	1	123.0323	0.802	3	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<4>,3|C<3>}	123.4185	0.842	2	123.4185	0.709	2	123.0323	0.802	3	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	122.1470	0.000	1	122.1470	0.000	1	122.6393	0.823	4	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|N<3>,4|C<3>}	121.6270	0.000	1	121.6270	0.000	1	122.6393	0.823	4	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	123.3915	0.262	2	123.3915	0.069	2	122.6393	0.823	4	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,3|C<3>}	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	122.8757	1.065	16	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,2|N<3>,2|O<1>}	126.6320	0.000	1	126.6320	0.000	1	126.6320	0.000	1	126.6320	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){2|N<2>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2{1|N<2>,1|N<3>,2|C<4>}	126.4970	0.000	1	126.4970	0.000	1	126.4970	0.000	1	126.4970	0.000	1	123.8985	11.783	720	127.7444	48.184	1154
727	727	813	0:SP2_SP2_SP3	C[5,5a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|Si<4>,1|H<1>,4|C<3>}	131.6740	0.000	1	131.6740	0.000	1	131.6740	0.000	1	131.6740	0.000	1	131.6740	0.000	1	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	136.0123	0.477	3	136.0123	0.227	3	136.0123	0.227	3	136.0123	0.227	3	137.8832	6.844	5	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NCH)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NCH){2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	141.2680	0.000	1	141.2680	0.000	1	141.2680	0.000	1	140.6895	0.669	2	137.8832	6.844	5	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]C)(CCC)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]C)(CCC){1|C<4>,1|S<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	140.1110	0.000	1	140.1110	0.000	1	140.1110	0.000	1	140.6895	0.669	2	137.8832	6.844	5	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){2|C<4>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5]){1|H<1>,3|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	129.2840	0.000	1	129.2840	0.000	1	129.2840	0.000	1	129.2840	0.000	1	129.2840	0.000	1	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	136.8110	0.000	1	136.8110	0.000	1	136.8110	0.000	1	136.8110	0.000	1	136.8110	0.000	1	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	131.8440	0.000	1	131.8440	0.000	1	131.8440	0.000	1	131.8440	0.000	1	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	128.0750	0.000	1	128.0750	0.000	1	127.6245	0.406	2	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	127.1740	0.000	1	127.1740	0.000	1	127.6245	0.406	2	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	131.3655	0.033	2	131.3655	0.001	2	131.3655	0.001	2	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	130.9400	0.240	2	130.9400	0.058	2	131.1278	0.462	5	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	132.2420	0.000	1	132.2420	0.000	1	131.1278	0.462	5	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|N<3>,4|C<3>}	130.7585	0.452	2	130.7585	0.204	2	131.1278	0.462	5	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	131.9402	0.294	4	131.9402	0.086	4	130.3350	3.014	8	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	128.7120	0.426	2	128.7297	0.075	4	130.3350	3.014	8	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	128.7475	0.203	2	128.7297	0.075	4	130.3350	3.014	8	130.3705	2.706	17	130.4524	2.667	18	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	127.2390	0.000	1	127.2390	0.000	1	127.2390	0.000	1	127.2390	0.000	1	127.2390	0.000	1	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.1980	0.000	1	121.1980	0.000	1	121.1980	0.000	1	121.1980	0.000	1	119.4545	41.574	10	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	136.0040	0.000	1	136.0040	0.000	1	136.0040	0.000	1	136.0040	0.000	1	119.4545	41.574	10	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	116.8007	2.824	7	116.8007	7.978	7	116.8007	7.978	7	116.8007	7.978	7	119.4545	41.574	10	128.5706	51.530	37
727	727	813	0:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	119.4545	41.574	10	128.5706	51.530	37
727	727	813	5:SP2_SP2_SP2	C[5,5a,6]	C[5a]	N[5,5a,6]	3:4:3:	3:2:1:	3:4:2:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5,5a,6]-3:N[5a]-2:H-1:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H)	C[5a](C[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]N[5a])(H)	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5,5a,6]N[5,5a,6]C[5,5,6])(N[5a]N[5a])(H){1|O<2>,3|C<4>}	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	104.2670	0.000	1	104.2670	0.000	1	104.2670	0.000	1	104.2670	0.000	1	104.2670	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5,5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH)	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	115.7930	0.000	2	115.7930	0.000	2	115.7930	0.000	2	115.7193	0.015	8	115.7193	0.015	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH){1|C<4>,3|C<3>,4|H<1>}	115.6130	0.066	4	115.6130	0.004	4	115.6947	0.019	6	115.7193	0.015	8	115.7193	0.015	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	115.8580	0.000	2	115.8580	0.000	2	115.6947	0.019	6	115.7193	0.015	8	115.7193	0.015	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH)	C[5,5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	113.0050	0.000	2	113.0050	0.000	2	113.0050	0.000	2	112.6295	0.217	8	112.6295	0.217	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,3|C<3>,5|H<1>}	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH){1|C<4>,3|C<3>,4|H<1>}	112.3070	0.473	4	112.3070	0.224	4	112.5043	0.228	6	112.6295	0.217	8	112.6295	0.217	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[5,6a]-3:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5])	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH)	C[5,5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5,5a]C[5a,6]C[5])(C[5,6a]C[6a]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	112.8990	0.000	2	112.8990	0.000	2	112.5043	0.228	6	112.6295	0.217	8	112.6295	0.217	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|N<3>,5|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	113.7140	0.000	1	113.7140	0.000	1	113.3610	0.249	2	113.3610	0.249	2	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6])	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|N<3>,5|C<3>}	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6]){2|H<1>,2|N<3>,5|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	113.0080	0.000	1	113.0080	0.000	1	113.3610	0.249	2	113.3610	0.249	2	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C)	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<3>,2|N<3>,3|C<3>}	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<3>,2|C<4>,2|N<3>,3|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|C<4>,7|C<3>}	113.4880	0.000	1	113.4880	0.000	1	112.6870	1.283	2	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<3>,2|C<4>,2|N<3>,3|C<3>}	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<3>,2|N<3>,3|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|C<4>,1|H<1>,7|C<3>}	111.8860	0.000	1	111.8860	0.000	1	112.6870	1.283	2	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	112.4123	0.236	4	112.4123	0.056	4	112.4130	0.091	21	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	112.3700	0.184	2	112.3700	0.034	2	112.4130	0.091	21	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|F<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|F<1>,2|H<1>,2|N<3>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	112.3165	0.081	2	112.3165	0.007	2	112.4130	0.091	21	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>,3|N<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>,3|N<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	112.2722	0.362	4	112.4348	0.132	13	112.4130	0.091	21	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	112.5070	0.360	9	112.4348	0.132	13	112.4130	0.091	21	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	110.4235	0.183	4	110.4235	0.033	4	110.4235	0.033	4	112.1386	0.660	27	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	6:3:3:	C[5,5a]-3:N[5,5a,6]-3:C[5a,6a]-3:	C[5,5a]-3:N[5,5a,6]-3:C[5a,6a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5a,6a]C[5,5a])(C[5a,6]C[5a,6a]N[6])	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,2|N<3>,2|O<2>,5|C<3>}	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,2|N<3>,2|O<2>,5|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5a,6a]C[5,5a])(C[5a,6]C[5a,6a]N[6]){8|C<3>}	110.9330	0.380	2	110.9330	0.145	2	110.9330	0.145	2	111.2066	0.148	9	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	6:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|F<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|F<1>,2|H<1>,2|N<3>,3|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	111.1970	0.041	2	111.1970	0.002	2	111.2847	0.141	7	111.2066	0.148	9	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a,6]	3:3:3:	3:3:3:	6:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	111.3198	0.453	5	111.3198	0.205	5	111.2847	0.141	7	111.2066	0.148	9	111.9822	0.769	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a]	3:3:2:	3:3:2:	3:4:3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5,5a]-3:S[5a]-2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a])	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){6|C<3>}	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]C[5a])(S[5a]C[5a]){1|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	106.2610	0.000	1	106.2610	0.000	1	106.2610	0.000	1	106.2610	0.000	1	107.4922	3.710	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a]	3:3:2:	3:3:3:	3:4:3:	C[5,5a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]S[5a])(C[5a]C[5a]H)	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]N[5,5a]N[5a])(C[5,5a]C[5,6]S[5a])(C[5a]C[5a]H){5|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	107.4922	3.710	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){1|N<3>,1|O<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	105.6520	0.000	1	105.6520	0.000	1	105.6520	0.000	1	105.6520	0.000	1	107.4922	3.710	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a]	3:3:3:	3:3:3:	3:4:2:	C[5,5a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:B[5a]-4:N[5]-2:	C[5,5a](C[5,5a]N[5,5a]C[5a])(N[5,5a]B[5a]N[5])(C[5a]O[5a]O)	C[5,5a](C[5,5a]N[5,5a]C[5a])(N[5,5a]B[5a]N[5])(C[5a]O[5a]O)	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a])	C[5,5a](C[5,5a]N[5,5a]C[5a])(N[5,5a]B[5a]N[5])(C[5a]O[5a]O){1|B<4>,2|C<4>,2|O<2>}	C[5,5a](C[5,5a]N[5,5a]C[5a])(N[5,5a]B[5a]N[5])(C[5a]O[5a]O){1|B<4>,2|C<4>,2|O<2>}	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a]){1|B<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	105.8195	0.657	2	105.8195	0.432	2	105.8195	0.432	2	105.8195	0.432	2	107.4922	3.710	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5,5a]-3:C[5,6]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5,5a,6a]C[5])(C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C){2|C<3>,3|C<4>,7|H<1>}	C[5,5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5,6])(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	109.9320	0.000	2	109.9320	0.000	2	109.9320	0.000	2	109.7043	0.155	3	107.4922	3.710	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]O[5]HH)	C[5,5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]O[5]HH)	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H)	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]O[5]HH){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5,5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]O[5]HH){2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.2490	0.000	1	109.2490	0.000	1	109.2490	0.000	1	109.7043	0.155	3	107.4922	3.710	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:N[5]-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5,5a](N[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5a]C[5])(N[5]C[5])	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H)	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5,5a](N[5a,5a]C[5a,5a]C[5a])(C[5,5a]C[5a]C[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H){5|C<3>}	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,3|C<3>}	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a,6]	3:3:2:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a,6]-3:S[5]-2:	C[5,5a]-3:N[5,6]-3:S[5a]-2:	C[5a,6]-3:C[5,5a]-3:B[6]-4:	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6])	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6])	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6])	C[5,5a](C[5,5a]N[5,6]S[5a])(N[5a,6]C[5a,6]B[6])(S[5]C[5,6]){1|B<4>,1|O<2>,4|C<3>}	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6]){1|B<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]S[5a])(C[5,5a]C[5,5a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	112.5055	9.104	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a,6]-3:C[5]-4:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]N[5a,6]C[5])(C[5a]C[5a,6]H)	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]N[5a,6]C[5])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	112.5055	9.104	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:N[5]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6]-4:	C[5,5a](C[5,5a]C[5,6a]C[5a])(N[5a]C[5a]C[6])(N[5]C[5,6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a])	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(N[5a]C[5a]C[6])(N[5]C[5,6a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(S[5]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3){1|H<1>,2|C<3>,2|C<4>}	112.2790	0.000	1	112.2790	0.000	1	112.2790	0.000	1	112.2790	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5,5a]-3:N[5a]-3:O[5]-2:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5])	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C)	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5]){2|C<4>,5|C<3>}	C[5,5a](C[5,5a]N[5a]O[5])(C[5]C[5,5]CC)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5a,6a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	108.9025	0.302	2	108.9025	0.091	2	108.9025	0.091	2	108.9025	0.091	2	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a])	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	109.3520	0.368	2	109.3520	0.135	2	109.3520	0.135	2	109.3520	0.135	2	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]O){2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	107.3590	0.533	2	107.3590	0.284	2	108.2800	0.803	5	108.5173	0.980	6	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.7875	0.175	2	108.8940	0.049	3	108.2800	0.803	5	108.5173	0.980	6	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.1070	0.000	1	108.8940	0.049	3	108.2800	0.803	5	108.5173	0.980	6	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C){2|C<3>,2|O<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,5|C<3>}	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	108.5173	0.980	6	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	114.4045	0.693	6	114.2966	0.899	8	114.2966	0.899	8	114.2966	0.899	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[6a]-3:As[5a]-2:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){2|C<4>,6|C<3>}	113.9730	1.901	2	114.2966	0.899	8	114.2966	0.899	8	114.2966	0.899	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	111.1050	0.000	1	111.1050	0.000	1	111.1050	0.000	1	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:N[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5])	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O)(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5]){1|S<2>,2|O<1>,5|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|S<2>,2|O<1>,5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH){1|O<2>,5|C<3>}	108.3540	0.115	2	108.3540	0.013	2	108.6710	0.202	5	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[5a]N){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH){6|C<3>}	108.8823	0.480	3	108.8823	0.230	3	108.6710	0.202	5	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|Br<1>,1|H<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|Br<1>,1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){2|C<4>,6|C<3>}	109.6287	0.440	4	109.6287	0.193	4	110.1005	0.372	25	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	109.9178	0.788	6	109.9178	0.621	6	110.1005	0.372	25	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){2|C<4>,8|C<3>}	110.1362	0.363	5	110.3385	0.253	13	110.1005	0.372	25	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){3|C<4>,7|C<3>}	110.4649	0.558	8	110.3385	0.253	13	110.1005	0.372	25	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|S<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|S<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2){2|C<4>,6|C<3>}	110.0450	0.602	2	110.0450	0.363	2	110.1005	0.372	25	110.0050	0.974	32	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH){1|H<1>,5|C<3>}	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.8724	0.674	7	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:B[5]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(B[5]C[5,6a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(B[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|B<3>,1|H<1>,4|C<3>}	111.7610	0.000	1	111.7610	0.000	1	111.7610	0.000	1	110.8724	0.674	7	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	110.2960	0.000	1	110.2960	0.000	1	110.9173	0.293	3	110.8724	0.674	7	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	111.2280	0.079	2	111.2280	0.006	2	110.9173	0.293	3	110.8724	0.674	7	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O){4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5a])(C[5,5a]N[5a]C[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	110.8724	0.674	7	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H){4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|H<1>,4|C<3>}	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	110.8724	0.674	7	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:B[5a]-4:C[6a]-3:	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){2|Br<1>,1|H<1>,6|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(N[5a]B[5a]C[6a]){2|Br<1>,1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	111.1995	0.125	2	111.1995	0.016	2	111.1995	0.016	2	111.1995	0.016	2	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,3|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,3|C<4>}	108.9705	0.069	2	108.9705	0.005	2	109.1823	0.137	3	109.1823	0.137	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	109.6060	0.000	1	109.6060	0.000	1	109.1823	0.137	3	109.1823	0.137	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	110.2730	0.000	2	110.2730	0.000	2	110.2730	0.000	2	110.2730	0.000	2	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:P[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(P[5]C[5,5a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3)	C[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,5a]C[5a,6a]P[5])(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(P[5]C[5,5a]C[6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	109.9870	0.010	2	109.9870	0.000	2	109.9870	0.000	2	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	110.9055	0.304	4	110.9055	0.092	4	110.8240	0.090	6	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	110.6610	0.305	2	110.6610	0.093	2	110.8240	0.090	6	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]C)(C[5]O[5]N){1|C<3>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]O[5]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:S-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(SC[6a]OO)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]S)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|S<4>,2|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>,2|C<4>}	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.0710	0.000	1	111.0710	0.000	1	111.0680	0.003	3	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.0665	0.074	2	111.0665	0.006	2	111.0680	0.003	3	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S){3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	110.7579	0.990	14	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]N[5a]C[5]){1|C<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	110.9310	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5,6a]-3:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C){5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5]){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	110.7995	0.367	2	110.7995	0.135	2	110.7995	0.135	2	111.2630	0.712	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5,5a]-3:N[5a]-3:N[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]H)(C[5,5a]N[5a]N[5]){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	111.2630	0.712	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5,6]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]CC){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6]){1|N<2>,2|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.7050	0.090	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	110.8010	0.000	1	110.7422	0.111	4	110.7422	0.111	4	110.7050	0.090	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){2|C<3>,2|O<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	110.7227	0.405	3	110.7422	0.111	4	110.7422	0.111	4	110.7050	0.090	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	110.5496	0.654	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	109.4550	0.000	1	109.4550	0.000	1	110.1000	0.315	3	110.5496	0.654	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|S<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	110.4225	0.077	2	110.4225	0.006	2	110.1000	0.315	3	110.5496	0.654	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,6]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){3|H<1>,4|C<3>}	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.5496	0.654	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:2:3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5a]-2:C-3:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){1|C<4>,2|H<1>,2|N<3>}	108.9960	0.000	1	108.9960	0.000	1	108.6480	0.091	3	108.6480	0.091	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:2:3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5a]-2:C-3:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO){1|C<4>,2|H<1>,2|N<3>}	108.4740	0.007	2	108.4740	0.000	2	108.6480	0.091	3	108.6480	0.091	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:2:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|N<2>,4|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){1|C<4>,4|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	110.8490	0.315	4	110.8490	0.099	4	110.8442	0.075	5	110.8442	0.075	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	110.8250	0.000	1	110.8250	0.000	1	110.8442	0.075	5	110.8442	0.075	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]CH){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	111.7100	0.000	1	111.7100	0.000	1	111.3465	0.264	2	110.8550	0.279	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]HH){6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	110.9830	0.000	1	110.9830	0.000	1	111.3465	0.264	2	110.8550	0.279	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	110.3840	0.000	1	110.3840	0.000	1	110.4485	0.008	2	110.8550	0.279	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.5130	0.000	1	110.5130	0.000	1	110.4485	0.008	2	110.8550	0.279	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(N[5a]C[5a,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<4>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(Si[5]C[5]CC){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	110.6850	0.000	1	110.6850	0.000	1	110.6850	0.000	1	110.8550	0.279	5	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:4:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|O<2>,2|C<4>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]C[5]O)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	110.3925	0.486	2	110.3925	0.236	2	110.3925	0.236	2	110.3925	0.236	2	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	4:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH)	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[5,5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]H)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]O){2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){2|C<4>,2|H<1>,3|C<3>}	111.2330	0.000	1	111.2330	0.000	1	111.5950	0.262	2	110.9546	0.648	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,6|C<3>}	111.9570	0.000	1	111.9570	0.000	1	111.5950	0.262	2	110.9546	0.648	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S){8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,6|C<3>}	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	110.9546	0.648	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]O){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	110.9546	0.648	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,6|C<3>}	111.5370	0.000	1	111.5370	0.000	1	111.5370	0.000	1	110.9546	0.648	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|H<1>,5|C<3>}	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	110.9546	0.648	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5,5a]-3:P[5]-4:N[5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(P[5]C[5,5a]C[6a]O)(N[5a]C[5a,6a]C)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]P[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(P[5]C[5,5a]C[6a]O)(N[5a]C[5a,6a]C){1|N<3>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]P[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3){1|H<1>,1|O<1>,5|C<3>}	110.7725	0.862	2	110.7725	0.743	2	110.7725	0.743	2	110.9546	0.648	8	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){2|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	110.7470	0.000	1	110.7470	0.000	1	110.8077	0.149	7	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){2|H<1>,8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C[6]H){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	110.7720	0.000	1	110.7720	0.000	1	110.8077	0.149	7	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){2|H<1>,8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	110.5940	0.000	1	110.5940	0.000	1	110.8077	0.149	7	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	111.2580	0.000	1	111.2580	0.000	1	110.8077	0.149	7	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]2C[5])(N[5a]C[5a,6a]H){1|N<3>,2|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5a]C[5]H){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	110.8440	0.000	1	110.8440	0.000	1	110.8077	0.149	7	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){3|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	111.2790	0.000	1	110.7195	0.626	2	110.8077	0.149	7	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]H){4|C<3>,4|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	110.1600	0.000	1	110.7195	0.626	2	110.8077	0.149	7	110.9316	0.338	9	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH){1|H<1>,3|C<3>,3|C<4>}	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.6100	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]O[5]C)(N[5a]C[5a,6a]C){3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	110.8650	0.000	1	110.8650	0.000	1	111.0730	0.032	3	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]S[5]2)(N[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5]CH){1|C<4>,2|H<1>,2|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	111.1770	0.000	2	111.1770	0.000	2	111.0730	0.032	3	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]H)(N[5a]C[5a,6a]S){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HS){1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:Si-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]C[6]C)(N[5a]C[5a,6a]Si){2|C<3>,2|C<4>,5|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){1|Si<4>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3){1|H<1>,2|C<3>,4|C<4>}	110.9430	0.000	2	110.9430	0.000	2	110.9430	0.000	2	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	109.3230	0.000	1	110.0725	1.124	2	110.0725	1.124	2	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,3|C<3>,3|C<4>}	110.8220	0.000	1	110.0725	1.124	2	110.0725	1.124	2	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]CC){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,3|C<3>,3|C<4>}	109.7700	0.000	1	109.7700	0.000	1	109.6077	0.032	3	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	109.6350	0.000	1	109.5265	0.024	2	109.6077	0.032	3	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(N[5a]C[5a,6a]S){3|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	109.4180	0.000	1	109.5265	0.024	2	109.6077	0.032	3	110.4018	0.530	11	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:4:3:	3:3:1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	3:4:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5,5]C[6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,5]O[5]H)(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	4:3:3:	3:2:3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:C-3:	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C)	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C){1|H<1>,4|C<4>}	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(C[5a]N[5a]C){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){2|H<1>,3|C<4>}	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S)	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,5]C[3x5]O[5]H)(N[5a]C[5a,6a]S){3|C<4>,4|C<3>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|O<2>,1|S<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.6770	0.000	1	110.6770	0.000	1	110.6770	0.000	1	110.1137	0.243	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	3:4:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5,5,6,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S)	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5,5,6,6]C[5a,6a])(C[5]C[5,5,6,6]HH)(N[5a]C[5a,6a]S){2|C<4>,4|C<3>}	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,4|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	109.8320	0.099	2	109.8320	0.010	2	109.8320	0.010	2	110.1137	0.243	3	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO)	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5]N[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO){1|C<4>,1|H<1>,5|C<3>}	109.9810	0.000	2	109.9810	0.000	2	109.9810	0.000	2	109.9810	0.000	2	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HO){2|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	110.6980	0.000	1	110.6980	0.000	1	110.5271	0.061	12	110.5271	0.061	12	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	110.2900	0.000	1	110.4500	0.025	10	110.5271	0.061	12	110.5271	0.061	12	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	110.4678	0.157	9	110.4500	0.025	10	110.5271	0.061	12	110.5271	0.061	12	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5,5a](C[5,6]C[6,6a]C[5,6]C)(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,3|C<3>,3|C<4>}	111.1270	0.000	1	111.1270	0.000	1	110.5271	0.061	12	110.5271	0.061	12	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5,5a](C[5,5]C[5,5]C[6a]O[5])(C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,5a]	N[5a]	4:3:3:	3:4:3:	3:2:4:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C)	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(C[5a]N[5a]H)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3)	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C){2|C<4>,6|H<1>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(C[5a]N[5a]H){1|H<1>,4|C<4>}	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3){1|H<1>,4|C<4>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	110.4515	1.889	165	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5,5a,6]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	104.9790	0.000	1	104.9790	0.000	1	104.9790	0.000	1	104.9790	0.000	1	104.9790	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(N[5a]C[5a]){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	107.6285	0.218	2	107.6285	0.048	2	107.6285	0.048	2	107.6285	0.048	2	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5]C[5a])(N[5a]C[5a]){1|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a]){7|C<3>}	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	108.4484	0.038	5	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	108.4772	0.211	4	108.4772	0.045	4	108.4772	0.045	4	108.4484	0.038	5	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:N[5,5a]-3:N[5a]-2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a])	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(N[5a]C[5a]){1|H<1>,6|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	108.3130	0.230	2	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:2:	3:3:3:	4:3:3:	N[5,5a]-3:C[5,6a]-3:N[5a]-2:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a])	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	108.6520	0.000	1	108.6520	0.000	1	108.6520	0.000	1	108.3130	0.230	2	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	107.3250	0.000	1	107.3250	0.000	1	107.2128	0.486	6	107.4017	0.654	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	107.5207	0.869	3	107.5207	0.755	3	107.2128	0.486	6	107.4017	0.654	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	106.9020	0.000	1	106.9020	0.000	1	107.2128	0.486	6	107.4017	0.654	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O){1|H<1>,3|C<3>}	106.4880	0.000	1	106.4880	0.000	1	107.2128	0.486	6	107.4017	0.654	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	107.4017	0.654	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){3|H<1>,6|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	106.5950	0.000	1	106.5950	0.000	1	106.9797	0.301	7	106.9797	0.301	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a]){5|C<3>}	106.3225	0.015	2	106.3225	0.000	2	106.9797	0.301	7	106.9797	0.301	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C){2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|N<2>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a]){3|C<3>}	107.4045	0.152	4	107.4045	0.023	4	106.9797	0.301	7	106.9797	0.301	7	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	107.0380	1.112	2	107.0380	1.236	2	107.0380	1.236	2	107.8129	1.478	14	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	107.5367	0.111	3	107.5367	0.012	3	107.4210	0.031	10	107.8129	1.478	14	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	107.3540	0.000	1	107.3540	0.000	1	107.4210	0.031	10	107.8129	1.478	14	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	107.3743	0.200	6	107.3743	0.040	6	107.4210	0.031	10	107.8129	1.478	14	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C){1|H<1>,3|C<3>}	110.6200	0.000	1	110.5470	0.011	2	110.5470	0.011	2	107.8129	1.478	14	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C){1|H<1>,3|C<3>}	110.4740	0.000	1	110.5470	0.011	2	110.5470	0.011	2	107.8129	1.478	14	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,5a]-3:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a]){3|C<4>,5|C<3>}	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.6827	0.878	40	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a,6]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[6,6a]-3:C[5,5a]-3:C[5a,6]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O)	C[5,5a](C[5a,6]C[5a,6]C[6,6a])(N[5,5a]C[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	N[5,5a,6]	3:3:3:	3:3:3:	6:3:3:	C[5,5a]-3:N[5,5a,6]-3:C[5a,6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5a,6a]C[5,5a])(C[5a,6]C[5a,6a]N[6])	C[5,5a](C[5,5a]N[5,5a,6]C[5a,6a])(N[5,5a,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,2|N<3>,2|O<2>,5|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|P<6>,2|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5a,6a]C[5,5a])(C[5a,6]C[5a,6a]N[6]){8|C<3>}	108.7180	0.407	2	108.7180	0.166	2	108.7180	0.166	2	108.7180	0.166	2	108.7180	0.166	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	N[5,5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a])	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a])	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a]){2|H<1>,6|C<3>}	104.0210	0.000	1	104.0210	0.000	1	103.9410	0.013	2	103.9410	0.013	2	103.9410	0.013	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	N[5,5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5])	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5])	C[5,5a](N[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,6|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5]){2|H<1>,4|C<3>}	103.8610	0.000	1	103.8610	0.000	1	103.9410	0.013	2	103.9410	0.013	2	103.9410	0.013	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:N[5a]-2:C[5]-4:	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	106.5660	0.034	2	106.5660	0.001	2	106.5660	0.001	2	106.5660	0.001	2	106.7597	0.113	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a,6a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[5]-4:	C[6a,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a])	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH){6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	106.7597	0.113	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5,5a]	3:3:3:	3:3:1:	5:3:3:	N[5,5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	In[5,5]-5:C[5,5a]-3:C[5,5a]-3:	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5,5a]C[5,6])(C[5a]C[5,5a]H)(H)	N[5,5,5a](In[5,5]N[5,6]2ClIr)(C[5,5a]C[5,6]C[5a])2	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H){1|Cl<1>,1|Ir<5>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5,5a]N[5,5,5a]C[5,6])(C[5a]C[5,5a]H)(H){1|In<5>,1|N<3>,2|C<3>}	N[5,5,5a](In[5,5]N[5,6]2ClIr)(C[5,5a]C[5,6]C[5a])2{2|H<1>,4|C<3>}	107.9435	0.340	4	107.9435	0.116	4	107.9435	0.116	4	107.9435	0.116	4	108.8976	0.741	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5,5a]	3:3:4:	3:3:1:	3:3:5:	N[5,5,5a]-3:C[5a]-3:P[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:In[5,5]-5:	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5a]C[5a]H)(P[5]N[5]CC)	C[5a](C[5,5a]N[5,5,5a]P[5])(C[5a]C[5,5a]H)(H)	N[5,5,5a](C[5,5a]C[5a]P[5])2(In[5,5]N[5]2Cl2)	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5a]C[5a]H)(P[5]N[5]CC){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[5a](C[5,5a]N[5,5,5a]P[5])(C[5a]C[5,5a]H)(H){1|In<5>,1|N<3>,1|P<4>,2|C<4>}	N[5,5,5a](C[5,5a]C[5a]P[5])2(In[5,5]N[5]2Cl2){2|C<3>,2|H<1>,4|C<4>}	109.5337	0.224	6	109.5337	0.050	6	109.5337	0.050	6	109.5337	0.050	6	108.8976	0.741	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5,5a,6]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,6a])(C[5a]C[5a,6]B)(H)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]C[5a,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,6a])(C[5a]C[5a,6]B)(H){1|C<4>,3|C<3>}	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	105.9110	0.000	1	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C[6])(H)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|N<3>,5|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C[6])(H){1|Ga<4>,1|N<3>,4|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	107.7440	0.000	1	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(H)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<3>,2|C<4>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(H){1|Ga<5>,1|N<3>,2|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|C<4>,1|H<1>,7|C<3>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	108.8343	0.960	27	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H){1|Ge<5>,1|N<3>,2|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	108.2812	0.339	4	108.2812	0.115	4	108.4658	0.412	22	108.8343	0.960	27	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H){1|Ge<5>,1|N<3>,2|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	108.4060	0.110	2	108.4060	0.012	2	108.4658	0.412	22	108.8343	0.960	27	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|F<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H){1|Ge<5>,1|N<3>,2|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	108.4170	0.086	2	108.4170	0.007	2	108.4658	0.412	22	108.8343	0.960	27	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H){1|Ge<5>,1|N<3>,2|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	108.1837	0.614	10	108.1837	0.377	10	108.4658	0.412	22	108.8343	0.960	27	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]N)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ge[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>,3|N<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]N)(H){1|Ge<5>,1|N<3>,2|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	109.4098	0.358	4	109.4098	0.128	4	108.4658	0.412	22	108.8343	0.960	27	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H){1|N<3>,1|P<5>,2|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	110.4750	0.239	4	110.4750	0.057	4	110.4750	0.057	4	108.8343	0.960	27	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	6:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|F<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H){1|N<3>,1|P<6>,2|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	109.3915	0.006	2	109.3915	0.000	2	108.9969	0.139	7	108.9969	0.139	7	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	6:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]P[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(H){1|N<3>,1|P<6>,2|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	108.8390	0.315	5	108.8390	0.099	5	108.9969	0.139	7	108.9969	0.139	7	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6]-3:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6])	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2){1|Ga<4>,3|N<3>,4|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a,6]	3:3:3:	3:3:4:	5:3:3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<3>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C)(CF3){1|Ga<5>,1|N<3>,2|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|C<4>,7|C<3>}	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	108.6780	1.072	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:2:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:Se[5]-2:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]Se[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5]){1|Se<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]Se[5])(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se){2|H<1>,3|C<3>}	110.8145	0.097	2	110.8145	0.009	2	110.8145	0.009	2	110.8145	0.009	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:2:	3:3:2:	3:3:3:	N[5,5a]-3:C[5a]-3:S[5]-2:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(S[5]C[5])	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(S[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5,5a]N[5,5a]S[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	107.3230	0.000	1	107.3230	0.000	1	107.3230	0.000	1	107.3230	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:2:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:S[5]-2:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(S[5]C[5,5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(CCO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(S[5]C[5,5]){1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(CCO){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:2:	3:3:3:	3:4:2:	N[5,5a]-3:C[5a]-3:O[5]-2:	C[5,5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5])	C[5a](C[5,5a]N[5,5a]O[5])(C[5a]N[5a]C)(CC[6a]O)	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5]){1|N<2>,3|C<3>}	C[5a](C[5,5a]N[5,5a]O[5])(C[5a]N[5a]C)(CC[6a]O){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a]){1|N<2>,6|C<3>}	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:2:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	105.7980	0.418	3	105.7980	0.174	3	105.8113	0.056	10	105.8113	0.056	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:2:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.6260	0.000	1	105.6260	0.000	1	105.8113	0.056	10	105.8113	0.056	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:2:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.8488	0.152	6	105.8488	0.023	6	105.8113	0.056	10	105.8113	0.056	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:2:2:	3:4:2:	C[5,5a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:O[5a]-2:O-2:	C[5,5a]-3:B[5a]-4:N[5]-2:	C[5,5a](C[5,5a]N[5,5a]C[5a])(N[5,5a]B[5a]N[5])(C[5a]O[5a]O)	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB)	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a])	C[5,5a](C[5,5a]N[5,5a]C[5a])(N[5,5a]B[5a]N[5])(C[5a]O[5a]O){1|B<4>,2|C<4>,2|O<2>}	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[5,5a](C[5,5a]C[5,5a]C[5a])(B[5a]O[5a]C[6]2)(N[5]N[5,5a]){1|B<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	109.0080	0.298	2	109.0080	0.089	2	109.0080	0.089	2	109.0080	0.089	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:2:3:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:C-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C)	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]N[5a])(CC[6a]O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C){2|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]N[5a])(CC[6a]O){1|C<4>,2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a]){3|C<3>}	103.7125	0.140	4	103.7125	0.020	4	103.7125	0.020	4	103.7125	0.020	4	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:2:4:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C)	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C){4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	103.5850	0.000	1	103.5850	0.000	1	103.5850	0.000	1	103.5850	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|O<1>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){4|H<1>}	107.8490	0.000	1	107.8490	0.000	1	107.8620	0.000	2	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	107.8750	0.000	1	107.8750	0.000	1	107.8620	0.000	2	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|C<4>,1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.5390	0.000	1	109.5390	0.000	1	109.7010	0.021	3	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	109.7510	0.000	1	109.7510	0.000	1	109.7010	0.021	3	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|N<3>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	109.8130	0.000	1	109.8130	0.000	1	109.7010	0.021	3	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	111.0370	0.000	1	110.0310	0.769	3	110.0310	0.769	3	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	109.4300	0.000	1	110.0310	0.769	3	110.0310	0.769	3	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|O<1>,1|O<2>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	109.6260	0.000	1	110.0310	0.769	3	110.0310	0.769	3	109.0680	1.281	10	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	108.1320	0.000	1	108.1320	0.000	1	107.9292	0.238	13	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|S<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(H){1|C<3>,1|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|S<3>,3|H<1>}	108.2190	0.288	2	108.2190	0.083	2	107.9292	0.238	13	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|O<1>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|O<1>,4|H<1>}	108.9320	0.000	1	108.9320	0.000	1	107.9292	0.238	13	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	108.0320	0.000	1	107.6372	0.082	8	107.9292	0.238	13	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){2|C<4>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,2|C<4>,2|H<1>}	107.4618	0.166	5	107.6372	0.082	8	107.9292	0.238	13	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	107.8785	0.190	2	107.6372	0.082	8	107.9292	0.238	13	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]O){1|C<4>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	108.4790	0.000	1	108.4790	0.000	1	107.9292	0.238	13	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Br-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(Br)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(Br){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|Br<1>,1|O<1>,3|H<1>,4|C<3>}	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:N[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|C<3>,4|H<1>}	111.6397	0.296	3	111.6397	0.088	3	111.6397	0.088	3	108.6442	2.293	17	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]N[5a]O)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]N[5a]O)(H){1|C<4>,2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|S<4>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C){1|H<1>,3|C<3>}	107.0110	0.000	1	107.1035	0.017	2	107.1035	0.017	2	107.7030	1.087	3	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]S[5])(C[5a]C[5a]H){1|H<1>,2|O<1>,4|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C[6a])(H){1|S<4>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C){1|H<1>,3|C<3>}	107.1960	0.000	1	107.1035	0.017	2	107.1035	0.017	2	107.7030	1.087	3	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.9020	0.000	1	108.9020	0.000	1	108.9020	0.000	1	107.7030	1.087	3	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	4:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	108.1850	0.828	3	108.1850	0.685	3	108.1850	0.685	3	107.8434	0.369	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	4:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.4557	0.116	3	107.4557	0.013	3	107.5872	0.078	4	107.8434	0.369	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	4:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]O)(C[5a]C[5a]H){2|C<4>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<4>,5|H<1>}	107.9820	0.000	1	107.9820	0.000	1	107.5872	0.078	4	107.8434	0.369	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	5:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Si[4,5,5]-5:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](Si[4,5,5]N[5,5]C[4]2O[5])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|Si<5>,1|N<3>,2|H<1>}	N[5,5a](Si[4,5,5]N[5,5]C[4]2O[5])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,7|H<1>}	109.4138	0.470	4	109.4138	0.221	4	109.4138	0.221	4	109.4755	0.148	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	5:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Si[5,5]-5:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|Si<5>,1|N<3>,2|H<1>}	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	109.5990	0.180	2	109.5990	0.032	2	109.5990	0.032	2	109.4755	0.148	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	6:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|Si<6>,1|N<3>,2|H<1>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	109.0136	0.221	7	109.0136	0.049	7	109.0136	0.049	7	109.0136	0.049	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:O-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(OH)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl){1|Cl<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(OH){1|Cl<1>,1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:2:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a]){5|C<3>}	103.7485	0.194	2	103.7485	0.038	2	103.7485	0.038	2	103.7485	0.038	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,6]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	105.4050	0.875	2	105.4050	0.766	2	105.4050	0.766	2	105.4050	0.766	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:2:	4:3:2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5,5a]-3:N[5a]-2:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a]){3|C<4>,5|C<3>}	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){1|N<3>,1|O<1>,6|C<3>}	C[5a](C[5,5a]C[5,5a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	108.2688	0.372	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(COO)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	108.2688	0.372	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	108.4007	0.398	3	108.4007	0.158	3	108.4007	0.158	3	108.2688	0.372	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O){1|H<1>,3|C<3>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	108.2688	0.372	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a]){3|H<1>,6|C<3>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]H)(NOO)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C){5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]H)(NOO){1|C<3>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	103.3710	0.000	1	103.3710	0.000	1	103.3710	0.000	1	103.3710	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:4:	3:4:3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	N[5,5a](C[5,5a]C[5a]C[5])(P[5]C[6a]S[5]S)(C[5a]C[5a]C)	C[5,5a](N[5,5a]C[5a]P[5])(C[5a]C[5a]C)(C[5]S[5]S){1|C<3>,1|S<1>,2|C<4>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|P<4>,1|S<1>,1|S<2>}	N[5,5a](C[5,5a]C[5a]C[5])(P[5]C[6a]S[5]S)(C[5a]C[5a]C){1|S<1>,2|C<3>,2|C<4>}	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	107.0600	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:3:	3:3:4:	6:3:3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	Si[5,5]-6:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3)	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C)	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]C[6a]O[5])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|Si<6>,1|C<3>,1|C<4>,1|O<2>}	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C){2|C<4>,4|C<3>}	108.3680	0.881	2	108.3680	0.776	2	108.3680	0.776	2	108.3680	0.776	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:2:1:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){1|C<4>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(N[5a]N[5a])(H){2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<4>,4|H<1>}	103.8810	0.000	1	103.8810	0.000	1	103.8810	0.000	1	103.8810	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	108.5520	0.000	1	108.9875	0.379	2	108.9875	0.379	2	108.8464	1.530	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){2|C<3>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	109.4230	0.000	1	108.9875	0.379	2	108.9875	0.379	2	108.8464	1.530	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	107.3400	0.000	1	107.3400	0.000	1	107.8200	0.461	2	108.8464	1.530	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN){1|C<3>,1|O<1>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,2|H<1>,2|N<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	108.3000	0.000	1	108.3000	0.000	1	107.8200	0.461	2	108.8464	1.530	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	108.8464	1.530	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]S[5]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H)	C[5,5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]H)(C[5]S[5]HH){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5,5a]N[5,5a]C[5])(H){1|O<2>,1|S<2>,2|C<4>,4|H<1>}	N[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]C[5a]C[5])(C[5]C[6a]S[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	109.3142	0.786	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CH){1|C<3>,5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,3|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	108.5710	0.000	1	108.5710	0.000	1	108.7193	0.021	3	109.3142	0.786	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]Br)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO){2|Br<1>,2|C<4>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8610	0.000	1	108.7935	0.009	2	108.7193	0.021	3	109.3142	0.786	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]Br)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]CO){2|Br<1>,2|C<4>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]Br)(H){1|Br<1>,1|O<2>,3|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	108.7260	0.000	1	108.7935	0.009	2	108.7193	0.021	3	109.3142	0.786	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]O[5]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH){2|C<3>,2|C<4>,2|H<1>}	109.7340	0.000	1	109.7340	0.000	1	109.7340	0.000	1	109.3142	0.786	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:2:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN){2|C<3>,2|C<4>,3|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<2>,2|C<3>,5|H<1>}	109.2270	0.040	2	109.2270	0.002	2	109.2270	0.002	2	109.2270	0.002	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:2:	3:4:2:	N[5,5a]-3:C[5a]-3:P[5]-4:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a]-3:B[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5])	C[5a](C[5,5a]N[5,5a]P[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5]){1|H<1>,8|C<3>}	C[5a](C[5,5a]N[5,5a]P[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a]){1|H<1>,7|C<3>}	105.5220	0.000	1	105.5220	0.000	1	105.5220	0.000	1	105.5220	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH){1|C<2>,5|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	108.8900	0.000	1	108.8900	0.000	1	108.8915	0.000	2	109.6100	0.482	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH){1|H<1>,1|S<4>,4|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){4|C<3>,5|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|S<4>,3|C<3>,3|H<1>}	108.8930	0.000	1	108.8930	0.000	1	108.8915	0.000	2	109.6100	0.482	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<1>,1|P<4>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|P<4>,3|H<1>,4|C<3>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	109.6100	0.482	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C){8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|C<4>,2|H<1>,6|C<3>}	110.3110	0.000	1	110.3110	0.000	1	110.0155	0.175	2	109.6100	0.482	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H){8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){3|H<1>,6|C<3>}	109.7200	0.000	1	109.7200	0.000	1	110.0155	0.175	2	109.6100	0.482	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(COO)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]CH){1|C<3>,5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(COO){1|C<3>,1|H<1>,3|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	108.5385	0.357	2	108.5385	0.128	2	108.7990	0.267	3	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CHO)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CHO){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	109.3200	0.000	1	109.3200	0.000	1	108.7990	0.267	3	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.3070	0.000	1	109.3070	0.000	1	108.9736	0.149	5	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	108.6840	0.000	1	108.5880	0.018	2	108.9736	0.149	5	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	108.4920	0.000	1	108.5880	0.018	2	108.9736	0.149	5	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.1925	0.271	2	109.1925	0.073	2	108.9736	0.149	5	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	110.7130	0.000	1	110.7130	0.000	1	109.9407	0.515	3	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CC[6a]O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	109.8150	0.000	1	109.8150	0.000	1	109.9407	0.515	3	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HN){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(COO){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	109.2940	0.000	1	109.2940	0.000	1	109.9407	0.515	3	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){4|H<1>,6|C<3>}	110.8920	0.000	1	110.8920	0.000	1	110.4791	0.130	8	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	110.4454	0.407	5	110.4201	0.119	7	110.4791	0.130	8	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){5|C<3>,5|H<1>}	110.3570	0.204	2	110.4201	0.119	7	110.4791	0.130	8	109.7326	0.731	19	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[6a]N[5a])(COO)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH){1|C<3>,2|H<1>,2|O<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	106.7313	0.021	20	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[6a]-3:C[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){2|C<3>,4|H<1>}	106.7325	0.148	19	106.7325	0.022	19	106.7325	0.022	19	106.7313	0.021	20	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:3:	N[5,5a]-3:C[5a]-3:B[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(B[5]O[5]FF){1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]B[5])(CC[6a]2H){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	106.9065	0.056	2	106.9065	0.003	2	106.9065	0.003	2	106.9065	0.003	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CH3)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	110.1510	0.343	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<3>,2|H<1>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	109.6550	0.000	1	109.6550	0.000	1	110.1957	0.358	3	110.1510	0.343	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<3>,2|H<1>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	110.0930	0.000	1	110.4660	0.278	2	110.1957	0.358	3	110.1510	0.343	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]CH){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<3>,2|H<1>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	110.8390	0.000	1	110.4660	0.278	2	110.1957	0.358	3	110.1510	0.343	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[6]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C[6])(C[5]C[5]HO){2|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.1510	0.343	5	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:4:2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:S-4:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]C)(SC[6a]OO)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH){1|C<4>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]N[5a]C)(SC[6a]OO){2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<4>,1|S<4>,4|H<1>}	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:2:1:	3:3:2:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:O[5a]-2:O-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O)	C[5a](C[5,5a]N[5,5a]C[5])(O[5a]N[5a])(O)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a])	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O){2|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(O[5a]N[5a])(O){1|C<4>,1|O<2>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	105.4520	0.223	2	105.4520	0.050	2	105.4520	0.050	2	105.4520	0.050	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[3x5]O[5]H)(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.2650	0.057	2	109.2061	0.667	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]C[5]O)(C[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	109.0960	0.000	1	109.0960	0.000	1	109.2650	0.057	2	109.2061	0.667	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H){1|H<1>,1|N<3>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	109.2061	0.667	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	109.2061	0.667	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,3|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|C<3>,5|H<1>}	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	109.2061	0.667	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	109.1680	0.000	1	109.1680	0.000	1	109.4265	0.134	2	109.2061	0.667	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,1|N<3>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	109.6850	0.000	1	109.6850	0.000	1	109.4265	0.134	2	109.2061	0.667	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[5,6]N[6]H)(C[5a]C[5a,6a]Cl){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.7390	0.161	3	108.7390	0.026	3	108.7390	0.026	3	109.1788	0.791	4	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5])	C[5,5a](N[5,5a]C[5a,6a]C[5,5])(C[5]C[6a]C[5]C)(C[5a]C[5a,6a]H){1|N<3>,2|C<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5]){2|C<4>,5|H<1>,6|C<3>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	109.1788	0.791	4	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[3,5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[3,5])(CHO)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[3,5]C[3,5]C[3]C)(C[5a]C[5a,6a]C){2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[3,5])(CHO){1|H<1>,3|C<3>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH){1|C<4>,2|H<1>,4|C<3>}	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:4:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,3|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	107.9230	0.000	2	107.9230	0.000	2	107.9230	0.000	2	108.6780	1.710	3	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:4:	3:3:3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C){1|O<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){1|N<3>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	108.6780	1.710	3	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:4:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|C<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	110.6170	0.000	1	110.6170	0.000	1	110.1870	0.313	7	110.1870	0.313	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:4:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN){1|C<4>,3|H<1>,4|C<3>}	110.5530	0.000	1	110.5530	0.000	1	110.1870	0.313	7	110.1870	0.313	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	3:4:3:	3:3:4:	3:3:4:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]C[5]H)(C[5a]C[5a,6a]C){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	110.0278	0.598	5	110.0278	0.358	5	110.1870	0.313	7	110.1870	0.313	7	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:3:4:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.4870	0.033	4	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:Cl-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5,5a](C[5,6]C[6,6a]C[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(Cl){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	108.4095	0.240	2	108.4095	0.057	2	108.4095	0.057	2	108.4870	0.033	4	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5,5a](C[5,6]C[5,6]C[6,6]C)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.4870	0.033	4	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5,5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5,5a](C[5,5]C[5,5]C[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5,5])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	107.6293	0.221	3	107.6293	0.049	3	107.5752	0.109	5	107.6963	0.175	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5,5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|C<4>,5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5,5])(C[5a]C[5a]H)(H){1|N<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<4>,1|N<3>,4|H<1>}	107.0960	0.000	1	107.0960	0.000	1	107.5752	0.109	5	107.6963	0.175	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5,5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5,5a]N[5,5a]C[5,5])(C[5a]C[5a]H)(H){1|N<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.8920	0.000	1	107.8920	0.000	1	107.5752	0.109	5	107.6963	0.175	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:N[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5,5a]N[5,5a]C[5,6])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	C[5,5a](C[5,6]C[5,6]C[6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<2>,2|C<3>,5|H<1>}	C[5a](C[5,5a]N[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){2|C<3>,4|H<1>}	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	107.6963	0.175	6	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,5a]	C[5a]	N[5,5a]	4:3:3:	3:3:4:	3:3:4:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5,5])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	110.2570	0.225	2	110.2570	0.051	2	110.2570	0.051	2	110.2570	0.051	2	108.2374	3.311	192	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a]-3:Ga[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a]-3:In[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]In[5]C[6]){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.7320	0.000	1	117.7320	0.000	1	117.7320	0.000	1	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	115.2385	0.080	2	115.2385	0.006	2	115.3077	0.030	4	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){4|Cl<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H){1|H<1>,4|C<3>}	115.5570	0.000	1	115.5570	0.000	1	115.3077	0.030	4	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	115.1970	0.000	1	115.1970	0.000	1	115.3077	0.030	4	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a]-3:Ga[5,5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Ga[5,5]C[6])(C[6,6a]C[6a]C[6]){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a]-3:In[5,5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[5,5]C[6])(C[6,6a]C[6a]C[6]){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H){1|H<1>,8|C<3>}	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6])	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	114.4870	0.315	2	114.4870	0.099	2	114.4870	0.099	2	115.9955	1.850	10	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	6:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	In[4,5,6]-6:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6])	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[4,5,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|In<5>,2|In<4>,1|H<1>,4|C<3>}	118.1170	0.000	1	118.1170	0.000	1	118.1170	0.000	1	118.9763	1.048	3	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6,6a]	N[5,6a]	3:3:3:	3:3:3:	6:3:3:	N[5,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	In[3x4,5,3x6]-6:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6])	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]In[3x4,5,3x6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){3|In<6>,1|H<1>,4|C<3>}	119.4060	0.994	2	119.4060	0.988	2	119.4060	0.988	2	118.9763	1.048	3	116.6834	3.271	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a,6a]	N[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:B[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2)	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<3>,1|H<1>,6|C<3>}	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<3>,1|H<1>,6|C<3>}	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2){1|B<3>,7|C<3>}	108.1740	0.095	2	108.1740	0.009	2	108.1740	0.009	2	108.1740	0.009	2	108.1740	0.009	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:2:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:N[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[5,6a,6a]-3:B[6a]-4:S[5]-2:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5])	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5])	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5]){2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5]){1|B<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5]){8|C<3>}	111.0910	0.068	2	111.0910	0.005	2	111.0910	0.005	2	111.0910	0.005	2	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	112.0370	0.000	1	112.0370	0.000	1	111.8898	0.192	10	111.9990	0.351	12	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	111.8900	0.033	2	111.8734	0.213	9	111.8898	0.192	10	111.9990	0.351	12	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	111.7280	0.814	3	111.8734	0.213	9	111.8898	0.192	10	111.9990	0.351	12	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	111.6190	0.000	1	111.8734	0.213	9	111.8898	0.192	10	111.9990	0.351	12	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	112.0927	0.227	3	111.8734	0.213	9	111.8898	0.192	10	111.9990	0.351	12	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	N[5,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|N<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	111.9990	0.351	12	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:4:	N[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	111.7010	0.000	1	111.7010	0.000	1	111.7010	0.000	1	111.9990	0.351	12	111.8693	0.406	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N){1|H<1>,2|C<3>}	104.9170	0.000	1	104.9170	0.000	1	104.9170	0.000	1	109.0225	7.619	4	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	110.6435	0.026	2	110.6435	0.001	2	110.3910	0.192	3	109.0225	7.619	4	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	109.8860	0.000	1	109.8860	0.000	1	110.3910	0.192	3	109.0225	7.619	4	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	107.8375	0.268	2	107.8375	0.072	2	107.8342	0.028	4	107.8342	0.028	4	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|O<1>,2|H<1>,4|C<3>}	107.9070	0.000	1	107.9070	0.000	1	107.8342	0.028	4	107.8342	0.028	4	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|O<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	107.7550	0.000	1	107.7550	0.000	1	107.8342	0.028	4	107.8342	0.028	4	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a])	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	105.8005	0.083	2	105.8005	0.007	2	105.8005	0.007	2	105.8005	0.007	2	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	107.3540	0.000	1	107.3540	0.000	1	107.7570	0.134	5	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|C<3>,5|H<1>}	107.9490	0.000	1	107.8577	0.111	4	107.7570	0.134	5	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	108.0590	0.000	2	107.8577	0.111	4	107.7570	0.134	5	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|S<4>,3|C<3>,3|H<1>}	107.3640	0.000	1	107.8577	0.111	4	107.7570	0.134	5	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|C<4>,2|H<1>,6|C<3>}	107.5700	0.000	1	107.5700	0.000	1	107.9840	0.343	2	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){3|H<1>,6|C<3>}	108.3980	0.000	1	108.3980	0.000	1	107.9840	0.343	2	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	108.2034	1.585	9	108.0452	2.774	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]Se[5])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a]){4|C<3>}	110.7240	0.270	3	110.7240	0.073	3	110.7240	0.073	3	110.7240	0.073	3	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	106.2440	0.000	1	106.2440	0.000	1	106.7415	0.495	2	106.7415	0.495	2	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	107.2390	0.000	1	107.2390	0.000	1	106.7415	0.495	2	106.7415	0.495	2	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:2:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a]){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	112.5330	0.000	1	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	106.9410	0.000	1	106.9410	0.000	1	106.9364	0.049	5	106.9364	0.049	5	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	106.5970	0.000	1	106.9352	0.065	4	106.9364	0.049	5	106.9364	0.049	5	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]){4|C<3>,4|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	107.0480	0.145	3	106.9352	0.065	4	106.9364	0.049	5	106.9364	0.049	5	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	109.4275	0.097	2	109.4275	0.009	2	109.3090	0.047	3	107.6288	3.417	6	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	109.0720	0.000	1	109.0720	0.000	1	109.3090	0.047	3	107.6288	3.417	6	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	106.0660	0.000	1	106.0660	0.000	1	105.9487	0.027	3	107.6288	3.417	6	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	106.0180	0.000	1	106.0180	0.000	1	105.9487	0.027	3	107.6288	3.417	6	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	105.7620	0.000	1	105.7620	0.000	1	105.9487	0.027	3	107.6288	3.417	6	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5]){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a])	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	105.8920	0.000	1	105.8920	0.000	1	105.8920	0.000	1	106.0745	0.067	2	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	106.2570	0.000	1	106.2570	0.000	1	106.2570	0.000	1	106.0745	0.067	2	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.9615	0.056	2	108.9615	0.003	2	108.8625	0.034	4	109.0271	0.226	8	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.5900	0.000	1	108.5900	0.000	1	108.8625	0.034	4	109.0271	0.226	8	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	108.9370	0.000	1	108.9370	0.000	1	108.8625	0.034	4	109.0271	0.226	8	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,5|C<3>}	109.7430	0.000	1	109.7430	0.000	1	109.5047	0.044	3	109.0271	0.226	8	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	109.4250	0.000	1	109.3855	0.003	2	109.5047	0.044	3	109.0271	0.226	8	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	109.3460	0.000	1	109.3855	0.003	2	109.5047	0.044	3	109.0271	0.226	8	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	3:4:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,7|C<3>}	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	109.0271	0.226	8	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,4|C<3>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.1957	3.302	29	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	114.1775	0.107	2	114.0858	1.853	8	114.2891	1.527	11	114.2891	1.527	11	114.2891	1.527	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	113.7205	2.932	2	114.0858	1.853	8	114.2891	1.527	11	114.2891	1.527	11	114.2891	1.527	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	114.2225	1.155	4	114.0858	1.853	8	114.2891	1.527	11	114.2891	1.527	11	114.2891	1.527	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,5a,6a](C[5a,6a]C[5a,6a]C[6a])2(N[5a,5a]C[5a,6a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	114.8313	0.738	3	114.8313	0.544	3	114.2891	1.527	11	114.2891	1.527	11	114.2891	1.527	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5,5a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	109.2960	0.000	1	109.2960	0.000	1	109.3810	0.014	2	109.3810	0.014	2	109.3810	0.014	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5,5a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	109.4660	0.000	1	109.4660	0.000	1	109.3810	0.014	2	109.3810	0.014	2	109.3810	0.014	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H){5|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|S<2>,2|C<3>,3|H<1>}	106.7530	0.000	1	106.7530	0.000	1	106.7530	0.000	1	106.7530	0.000	1	110.3121	2.266	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]C[5])	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,4|C<3>}	111.8075	0.334	2	111.8075	0.112	2	110.6680	0.970	10	110.6680	0.970	10	110.3121	2.266	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]Mn)	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]Mn){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|Mn<6>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Mn<6>,2|H<1>,3|C<3>}	110.2550	0.000	1	110.2550	0.000	1	110.6680	0.970	10	110.6680	0.970	10	110.3121	2.266	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]Re)	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]Re){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|Re<6>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Re<6>,2|H<1>,3|C<3>}	110.0260	0.258	3	110.0260	0.067	3	110.6680	0.970	10	110.6680	0.970	10	110.3121	2.266	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]Ru)	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]Ru){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|Ru<6>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Ru<6>,2|H<1>,3|C<3>}	110.6830	1.222	4	110.6830	1.494	4	110.6680	0.970	10	110.6680	0.970	10	110.3121	2.266	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:O[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]O[5a])(C[5a]C[5a,6]H)	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]O[5a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	114.6170	0.000	1	114.6170	0.000	1	114.6170	0.000	1	112.6628	1.724	4	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]S[5a])(C[5a]C[5a,6]H)	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(S[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]S[5a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	112.0113	0.200	3	112.0113	0.040	3	112.0113	0.040	3	112.6628	1.724	4	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a,6]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6]-3:C[6]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6]){1|H<1>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){2|H<1>,4|C<3>}	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a,6]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a,6]H)(S[5a]C[5a,5a])	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a,6]H)(S[5a]C[5a,5a]){1|B<4>,1|S<2>,2|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	109.5510	0.741	2	109.5510	0.549	2	109.5510	0.549	2	109.2222	0.131	20	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(O[5a]C[5a])	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(O[5a]C[5a]){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.1611	0.322	14	109.1741	0.091	16	109.1741	0.091	16	109.2222	0.131	20	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(O[5a]C[5a])	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]O[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(O[5a]C[5a]){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	109.2650	0.048	2	109.1741	0.091	16	109.1741	0.091	16	109.2222	0.131	20	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a])	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a]){1|N<3>,2|F<1>,5|C<3>}	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]C[6a])(S[5a]C[5a]){1|B<4>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	109.2785	0.554	2	109.2785	0.307	2	109.2785	0.307	2	109.2222	0.131	20	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a,6]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	109.8277	2.401	26	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	107.8130	0.134	2	107.6543	0.143	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](N[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	107.8130	0.134	2	107.6543	0.143	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	N[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.6543	0.143	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a,5a]-3:S[5a]-2:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:2:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:S[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH)	C[5a,5a](C[5a,5a]S[5a]2)(N[5a]C[5a]C)(S[5a]C[5a]){2|O<1>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(S[5a]C[5a])2{1|C<4>,2|O<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]O)(CCHH){1|C<3>,1|S<2>}	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|N<2>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	111.3280	0.000	1	111.1925	0.037	2	111.1925	0.037	2	111.1925	0.037	2	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	111.0570	0.000	1	111.1925	0.037	2	111.1925	0.037	2	111.1925	0.037	2	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CC3)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CC3){2|C<3>,2|S<2>}	111.1031	0.486	7	111.1031	0.237	7	110.9602	0.428	21	110.9602	0.428	21	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Br<1>,1|N<2>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	111.1215	0.166	2	110.8888	0.533	14	110.9602	0.428	21	110.9602	0.428	21	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	110.2906	0.127	7	110.8888	0.533	14	110.9602	0.428	21	110.9602	0.428	21	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|H<1>,1|N<2>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	111.8045	0.529	4	110.8888	0.533	14	110.9602	0.428	21	110.9602	0.428	21	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a]2)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(CCHH){2|C<3>,2|S<2>}	110.9480	0.000	1	110.8888	0.533	14	110.9602	0.428	21	110.9602	0.428	21	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<2>,1|C<4>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C){1|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	107.4950	0.000	1	108.1662	0.361	4	108.1662	0.361	4	108.1662	0.361	4	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<3>,1|C<4>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C){1|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	108.3900	0.491	3	108.1662	0.361	4	108.1662	0.361	4	108.1662	0.361	4	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]2)(N[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,5a]C[5a,5a]2)2	N[5a](C[5a,5a]C[5a,5a]S[5a])2(H)	C[5a,5a](C[5a,5a]C[5a,5a]2)(N[5a]C[5a,5a]H)(S[5a]C[5a,5a]){2|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,5a]C[5a,5a]2)2{1|H<1>,2|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])2(H){4|C<3>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.1905	0.215	4	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(S[5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(S[5a]C[5a]){4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,4|C<3>}	111.0417	0.436	3	111.0417	0.190	3	111.0417	0.190	3	111.1905	0.215	4	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	106.3431	0.231	8	106.3638	0.136	11	106.3638	0.136	11	106.6558	1.207	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	106.4190	0.699	3	106.3638	0.136	11	106.3638	0.136	11	106.6558	1.207	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){4|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<4>,4|C<3>}	106.3880	0.000	1	106.3880	0.000	1	106.3880	0.000	1	106.6558	1.207	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:O-2:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]O)(S[5a]N[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]O)(S[5a]N[5a]){1|H<1>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	106.6558	1.207	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]S[5a])2(CCO)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a]S[5a]){1|S<2>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])2(CCO){4|C<3>}	112.3210	0.423	4	112.3210	0.179	4	112.3210	0.179	4	111.7021	0.883	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C[6a])(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C[6a])(S[5a]C[5a,6a]){1|S<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	111.7021	0.883	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]C[5a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])(COO)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,3|H<1>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2{1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])(COO){1|H<1>,4|C<3>}	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	111.7021	0.883	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|H<1>,4|C<3>}	110.6300	0.000	1	110.6300	0.000	1	110.6300	0.000	1	111.7021	0.883	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a,5a]C)(S[5a]C[5a,6a]){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH){1|S<2>,4|C<3>}	111.9990	0.000	1	111.9990	0.000	1	111.9990	0.000	1	112.1150	0.026	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	112.3160	0.000	1	112.3160	0.000	1	112.1343	0.028	6	112.1150	0.026	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	112.3500	0.000	1	112.2525	0.019	2	112.1343	0.028	6	112.1150	0.026	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	112.1550	0.000	1	112.2525	0.019	2	112.1343	0.028	6	112.1150	0.026	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	111.9950	0.031	3	111.9950	0.001	3	112.1343	0.028	6	112.1150	0.026	7	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H)	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|Br<1>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	105.3610	0.000	1	105.3610	0.000	1	105.3610	0.000	1	105.3610	0.000	1	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(COO)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(COO){1|H<1>,1|S<2>,2|C<3>}	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	107.5020	0.000	1	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:O-1:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O)	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O){1|N<3>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>,1|O<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	106.5245	0.285	2	106.5245	0.081	2	106.5245	0.081	2	106.5245	0.081	2	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O)	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O){1|N<3>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|C<4>,1|O<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,1|O<1>,2|N<2>}	110.1975	0.121	2	110.1975	0.015	2	110.1975	0.015	2	105.9388	3.715	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH){2|C<3>,2|N<2>}	104.7690	0.000	1	104.7690	0.000	1	105.1645	0.170	11	105.9388	3.715	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	105.9280	0.000	1	105.9280	0.000	1	105.1645	0.170	11	105.9388	3.715	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	105.1237	0.343	9	105.1237	0.118	9	105.1645	0.170	11	105.9388	3.715	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(H){2|S<2>,4|C<3>}	109.1905	0.034	4	109.1905	0.001	4	109.1905	0.001	4	108.5501	0.515	15	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	109.3405	0.078	2	109.3405	0.006	2	109.3405	0.006	2	108.5501	0.515	15	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	107.5350	0.088	2	107.5350	0.008	2	107.6564	0.056	5	108.5501	0.515	15	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|H<1>,1|S<2>,2|C<3>}	107.4760	0.000	1	107.4760	0.000	1	107.6564	0.056	5	108.5501	0.515	15	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|C<3>,1|S<2>,2|H<1>}	107.8680	0.253	2	107.8680	0.064	2	107.6564	0.056	5	108.5501	0.515	15	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	108.6315	0.144	4	108.6315	0.021	4	108.6315	0.021	4	108.5501	0.515	15	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C[5a,5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,4|C<3>}	104.8490	0.000	1	104.8490	0.000	1	104.8490	0.000	1	104.8490	0.000	1	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a]){1|S<2>,6|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|N<3>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	109.2077	0.455	12	109.2077	0.207	12	109.2077	0.207	12	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C[6a]){7|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	108.8465	0.052	2	108.8465	0.003	2	108.8465	0.003	2	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|S<2>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	108.6510	0.000	1	108.6510	0.000	1	109.3413	0.358	3	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	109.6865	0.042	2	109.6865	0.002	2	109.3413	0.358	3	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a,6]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a]H)(COO)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6]){1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a]H)(COO){1|N<2>,3|C<3>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO){2|C<3>,2|H<1>,2|S<2>}	109.2485	0.716	2	109.4430	0.434	4	109.3570	0.226	8	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CCO){2|C<3>,2|H<1>,2|S<2>}	109.6375	0.798	2	109.4430	0.434	4	109.3570	0.226	8	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6]O)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6]O){2|C<3>,2|H<1>,2|S<2>}	109.2080	0.413	2	109.2080	0.171	2	109.3570	0.226	8	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6a]O)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6a]O){2|C<3>,2|H<1>,2|S<2>}	109.3340	0.181	2	109.3340	0.033	2	109.3570	0.226	8	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,2|S<2>,4|C<3>}	109.4000	0.000	1	109.4000	0.000	1	109.7479	0.194	20	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	109.8500	0.347	11	109.8500	0.120	11	109.7479	0.194	20	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	109.5860	0.085	2	109.6511	0.311	8	109.7479	0.194	20	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	109.6728	0.657	6	109.6511	0.311	8	109.7479	0.194	20	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,5a](C[5a,5a]C[5a,6a]O[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|O<2>,2|H<1>,3|C<3>}	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a](N[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a]C[5a]H)(COO)	C[5a,5a](N[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a]C[5a]H)(COO){1|N<2>,3|C<3>}	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	109.5311	0.310	48	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C){1|C<4>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	108.9780	0.635	4	108.9780	0.403	4	109.1376	0.430	5	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])2(N[5a]C[5a,5a]C){1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,5a]S[5a])(S[5a]C[5a,5a]){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,2|C<3>,3|S<2>}	109.7760	0.000	1	109.7760	0.000	1	109.1376	0.430	5	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){1|C<4>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	108.6102	0.216	6	108.6102	0.047	6	108.7459	0.168	7	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	109.5600	0.000	1	109.5600	0.000	1	108.7459	0.168	7	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|C<4>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(CCHH){1|S<2>,4|C<3>}	109.4450	0.000	1	109.4450	0.000	1	109.3120	0.170	3	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(CCHH){2|S<2>,4|C<3>}	109.2455	0.561	2	109.2455	0.314	2	109.3120	0.170	3	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	107.3630	0.617	3	107.3630	0.381	3	107.6023	0.234	6	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	107.9315	0.117	2	107.9315	0.014	2	107.6023	0.234	6	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	107.6620	0.000	1	107.6620	0.000	1	107.6023	0.234	6	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<2>,4|C<3>}	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	109.6115	1.048	4	109.5966	0.825	5	109.5966	0.825	5	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(N[5a]C[5a,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,2|C<3>,3|S<2>}	109.5370	0.000	1	109.5966	0.825	5	109.5966	0.825	5	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6]S[5a])(N[5a]C[5a,6]C)(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]S[6])(S[5a]S[5a]){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH){1|O<1>,1|S<1>,4|S<2>}	110.0350	0.301	2	110.0350	0.091	2	110.0350	0.091	2	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.9260	0.136	2	109.9260	0.018	2	109.9903	0.014	4	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	110.0545	0.084	2	110.0545	0.007	2	109.9903	0.014	4	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|S<2>,2|H<1>,3|C<3>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.1623	1.366	34	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H){1|H<1>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H){1|H<1>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H){1|N<2>,3|N<3>}	107.9620	0.277	5	107.9620	0.077	5	107.9620	0.077	5	107.9620	0.077	5	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N){2|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N){2|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH){1|N<2>,3|N<3>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	106.9460	0.012	4	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C[5]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2){3|N<2>,3|N<3>}	106.9273	0.126	3	106.9273	0.016	3	106.9273	0.016	3	106.9460	0.012	4	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	107.6080	0.000	1	107.6080	0.000	1	106.9975	0.745	2	107.6043	1.477	3	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3){1|N<2>,3|N<3>}	106.3870	0.000	1	106.3870	0.000	1	106.9975	0.745	2	107.6043	1.477	3	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(C[5a]N[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<2>,3|C<3>}	108.8180	0.000	1	108.8180	0.000	1	108.8180	0.000	1	107.6043	1.477	3	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	109.5545	0.156	2	109.5545	0.024	2	109.5545	0.024	2	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	109.2837	0.458	3	109.2837	0.210	3	109.2837	0.210	3	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,6]N[5a])(C[5a]C[5a,6]H){1|B<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	111.3830	0.000	1	111.3830	0.000	1	111.3830	0.000	1	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){1|Cl<1>,2|N<2>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,1|N<3>,3|C<3>}	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	111.6010	0.000	1	111.6010	0.000	1	111.7440	0.041	2	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(N[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S)(H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(N[5a]C[5a]H){1|H<1>,1|S<4>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|S<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S)(H){1|H<1>,1|S<4>,2|C<3>}	111.8870	0.000	1	111.8870	0.000	1	111.7440	0.041	2	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H){5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	112.7380	0.215	2	112.7380	0.046	2	112.7380	0.046	2	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]C[5a]2)(C[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])(H)	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]C[5a]2)(C[5a]N[5a]C){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])(H){1|N<2>,5|C<3>}	110.9200	0.000	1	110.9200	0.000	1	110.9200	0.000	1	110.8059	1.911	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a]){2|N<2>,4|N<3>}	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	103.8438	3.744	52	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]O)(CN[5a])	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2{2|C<2>,2|O<1>}	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2{2|C<2>,2|O<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]O)(CN[5a]){1|C<3>,1|N<3>,2|C<2>}	103.1912	0.762	45	103.1912	0.580	45	103.1912	0.580	45	103.8438	3.744	52	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H){5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	109.4815	0.496	2	109.4815	0.246	2	109.4815	0.246	2	103.8438	3.744	52	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C){1|Ni<4>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|Ni<4>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	105.9130	0.245	2	105.9130	0.060	2	105.9130	0.060	2	103.8438	3.744	52	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H)	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]C[5a]2)(C[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,4|C<3>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]C[5a]2)(C[5a]N[5a]C){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	103.8438	3.744	52	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(C[5a]N[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	103.8438	3.744	52	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	107.2310	0.000	1	107.2310	0.000	1	107.2310	0.000	1	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	109.9305	0.081	2	109.9305	0.007	2	109.9305	0.007	2	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	108.3042	0.205	4	108.3042	0.042	4	107.9980	0.370	29	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	107.9490	0.639	25	107.9490	0.409	25	107.9980	0.370	29	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C){1|C<2>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	111.8390	0.000	1	111.8390	0.000	1	111.8390	0.000	1	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,5a]C[5a,6]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|I<1>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	109.7715	0.517	2	109.7715	0.267	2	109.7715	0.267	2	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a]){8|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a]){8|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a]C[6a]){1|Pd<4>,1|H<1>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	106.5875	0.177	2	106.5875	0.032	2	106.5875	0.032	2	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]C[5])	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5a,5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|C<4>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C){1|H<1>,6|C<3>}	114.8185	0.071	2	114.8185	0.005	2	114.8185	0.005	2	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C){6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-3:C[5a,5a]-3:	N[5a]-3:N[5a]-3:C[5a,5a]-3:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2)	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2){8|C<3>}	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2){8|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	110.4010	0.416	6	110.4010	0.173	6	110.4010	0.173	6	108.8471	3.229	50	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]N[5a])(C[5a]C[5,5a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(N[5a]C[5a,6a]C){6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]N[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	110.7975	0.889	2	110.7975	0.790	2	110.8253	0.397	3	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|S<4>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	110.8810	0.000	1	110.8810	0.000	1	110.8253	0.397	3	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|N<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	108.8680	0.000	1	108.8680	0.000	1	108.1013	1.258	3	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	107.7180	1.278	2	107.7180	1.634	2	108.1013	1.258	3	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[5a]C[5a,6a]C){1|C<2>,5|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(N[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(N[5a]C[5a]H){1|H<1>,1|S<4>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|S<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	112.9930	0.000	1	112.9930	0.000	1	112.9930	0.000	1	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C){1|Cl<1>,2|N<2>,3|H<1>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	107.8320	0.000	1	107.8320	0.000	1	107.8320	0.000	1	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](N[5a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C){6|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	110.4462	3.999	13	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	N[5a]-3:N[5a]-3:C[5a,5a]-3:	N[5a]-3:N[5a]-3:C[5a,5a]-3:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2)	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2){2|Br<1>,8|C<3>}	C[5a,5a](N[5a]B[5a]C[6a])2(C[5a,5a]N[5a]2){2|Br<1>,8|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	111.1745	0.279	2	111.1745	0.078	2	111.1745	0.078	2	111.1745	0.078	2	108.3572	7.843	317	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:2:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6]-3:N[5a]-2:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a]){1|H<1>,2|F<1>,4|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H){1|H<1>,2|F<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF){5|C<3>}	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a])	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,6|C<3>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a])	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a]){1|H<1>,2|F<1>,4|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|F<1>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,4|C<3>}	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:2:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5a,6]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(S[5a]C[5a,6a])	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(S[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){7|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C){1|C<4>,1|H<1>,3|C<3>}	109.2613	0.320	3	109.2613	0.103	3	109.2613	0.103	3	109.2613	0.103	3	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	109.4030	0.000	1	109.4030	0.000	1	109.5040	0.221	4	109.5040	0.221	4	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	109.5377	0.570	3	109.5377	0.324	3	109.5040	0.221	4	109.5040	0.221	4	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:3:	3:3:3:	3:4:2:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	109.3350	0.000	2	109.3350	0.000	2	109.3350	0.000	2	109.3350	0.000	2	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6]	N[5a,5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6])	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	109.5774	0.480	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,4|C<3>}	104.6050	0.000	1	104.6180	0.000	2	104.6180	0.000	2	104.6180	0.000	2	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|H<1>}	104.6310	0.000	1	104.6180	0.000	2	104.6180	0.000	2	104.6180	0.000	2	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]2)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.6040	0.000	1	104.6040	0.000	1	104.5995	0.255	11	104.5995	0.255	11	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.8980	0.000	1	104.8980	0.000	1	104.5995	0.255	11	104.5995	0.255	11	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	105.1640	0.000	1	104.8053	0.507	4	104.5995	0.255	11	104.5995	0.255	11	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.6857	0.821	3	104.8053	0.507	4	104.5995	0.255	11	104.5995	0.255	11	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H){1|B<3>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,3|H<1>}	104.2910	0.000	1	104.4960	0.073	4	104.5995	0.255	11	104.5995	0.255	11	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	104.5643	0.286	3	104.4960	0.073	4	104.5995	0.255	11	104.5995	0.255	11	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6]){2|H<1>,4|C<3>}	103.8870	0.000	1	103.8870	0.000	1	104.5995	0.255	11	104.5995	0.255	11	104.6023	0.212	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6a]C[5a,6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|C<3>,3|H<1>}	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	105.1070	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	109.0745	0.295	2	109.0745	0.087	2	109.0745	0.087	2	109.0745	0.087	2	109.1538	0.525	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	110.0880	0.000	1	109.1538	0.525	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H){1|H<1>,7|C<3>}	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	109.1538	0.525	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	141.7683	0.382	3	141.7683	0.146	3	141.7683	0.146	3	141.7683	0.146	3	141.5233	0.401	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6a]){8|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	142.1240	0.000	1	142.1240	0.000	1	142.1240	0.000	1	142.1240	0.000	1	141.5233	0.401	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	140.8555	0.531	2	140.8555	0.282	2	140.8555	0.282	2	140.8555	0.282	2	141.5233	0.401	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6]){2|H<1>,4|C<3>}	101.1380	0.000	1	101.1380	0.000	1	101.1380	0.000	1	101.8087	0.352	3	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){1|C<4>,1|H<1>,4|C<3>}	102.2640	0.000	1	102.1440	0.029	2	102.1440	0.029	2	101.8087	0.352	3	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){2|H<1>,4|C<3>}	102.0240	0.000	1	102.1440	0.029	2	102.1440	0.029	2	101.8087	0.352	3	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]B)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H){1|B<3>,1|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]B)(H){4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,3|H<1>}	105.1340	0.000	1	105.1340	0.000	1	105.0695	0.003	4	104.9496	0.074	5	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H){1|N<2>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	105.0640	0.037	2	105.0480	0.001	3	105.0695	0.003	4	104.9496	0.074	5	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(H){6|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	105.0160	0.000	1	105.0480	0.001	3	105.0695	0.003	4	104.9496	0.074	5	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(H){4|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|C<3>,4|H<1>}	104.4700	0.000	1	104.4700	0.000	1	104.4700	0.000	1	104.9496	0.074	5	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5])	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[5]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5]){1|B<4>,8|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.1450	0.000	1	104.1450	0.000	1	104.1450	0.000	1	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]2)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5a]N[5a]S[5a])	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5a]N[5a]S[5a]){8|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	105.2720	0.000	1	105.2720	0.000	1	105.2720	0.000	1	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2){1|B<3>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	105.5920	0.000	1	105.5920	0.000	1	105.8937	0.523	4	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	106.2940	0.953	2	106.2940	0.909	2	105.8937	0.523	4	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a])	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	105.3950	0.000	1	105.3950	0.000	1	105.8937	0.523	4	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|C<3>,4|H<1>}	104.8600	0.000	1	104.8600	0.000	1	104.1404	0.557	5	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){1|C<4>,1|H<1>,4|C<3>}	104.1490	0.000	1	104.0085	0.039	2	104.1404	0.557	5	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){2|H<1>,4|C<3>}	103.8680	0.000	1	104.0085	0.039	2	104.1404	0.557	5	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2{1|H<1>,7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|H<1>,4|C<3>}	104.7880	0.000	1	104.7880	0.000	1	104.1404	0.557	5	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a,6]C[5a,6]2)(C[5a]C[5a]C[6a])2{1|H<1>,7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|H<1>,4|C<3>}	103.0370	0.000	1	103.0370	0.000	1	104.1404	0.557	5	104.8813	1.134	11	104.4141	2.030	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:2:3:	3:2:3:	3:3:3:	N[5a,5a]-3:N[5a]-2:C[5a]-3:	C[5a,5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(S[5a]C[5a])(CC[5a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[5a]S[5a]C){1|S<1>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(S[5a]C[5a])(CC[5a]H){1|S<1>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S){1|H<1>,3|C<3>}	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	112.5390	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:2:3:	3:3:1:	3:3:2:	N[5a,5a]-3:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a])	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S){2|H<1>,3|C<3>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,2|H<1>}	110.0350	0.000	1	110.0350	0.000	1	110.2805	0.121	2	110.2805	0.121	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,2|F<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|B<4>,1|N<2>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N){1|C<3>,2|H<1>}	110.5260	0.000	1	110.5260	0.000	1	110.2805	0.121	2	110.2805	0.121	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:2:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:N-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(NC[3x6])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(NC[3x6]){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a]){1|C<4>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:4:	3:4:3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	110.2760	0.272	2	110.2760	0.074	2	110.2760	0.074	2	110.2760	0.074	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:2:	3:4:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:C-4:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,2|C<4>}	108.2505	0.920	2	108.2505	0.846	2	108.2505	0.846	2	108.2505	0.846	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(C[5a]N[5a]C)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]N[5a])(CCC)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(C[5a]N[5a]C){2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]N[5a])(CCC){3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	103.3550	0.182	2	103.3550	0.033	2	103.3550	0.033	2	103.3550	0.033	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,3|C<3>}	106.3790	0.000	1	106.3790	0.000	1	106.3790	0.000	1	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|S<2>,2|C<3>,3|H<1>}	107.0300	0.000	1	107.0300	0.000	1	105.3129	1.833	11	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Mn<6>,2|H<1>,3|C<3>}	105.9370	0.000	1	105.1412	1.676	10	105.3129	1.833	11	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Re<6>,2|H<1>,3|C<3>}	105.7990	0.734	3	105.1412	1.676	10	105.3129	1.833	11	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Ru<6>,2|H<1>,3|C<3>}	105.4090	1.190	4	105.1412	1.676	10	105.3129	1.833	11	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,4|C<3>}	103.2210	0.410	2	105.1412	1.676	10	105.3129	1.833	11	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|C<2>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	107.1040	0.000	1	107.1040	0.000	1	107.0863	0.328	3	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2{1|P<4>,3|H<1>}	106.5050	0.000	1	106.5050	0.000	1	107.0863	0.328	3	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]P)(H)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2{1|P<4>,3|H<1>}	107.6500	0.000	1	107.6500	0.000	1	107.0863	0.328	3	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	106.7635	0.572	2	106.7635	0.327	2	107.1705	0.360	4	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	107.5775	0.299	2	107.5775	0.089	2	107.1705	0.360	4	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]2)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]2)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){4|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a]){3|H<1>,5|C<3>}	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	106.2914	3.073	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,2|C<4>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	112.0730	0.000	1	112.0730	0.000	1	111.8217	0.038	4	111.8217	0.038	4	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	111.7380	0.120	3	111.7380	0.014	3	111.8217	0.038	4	111.8217	0.038	4	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)(H)	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]N[5a]C)(H){1|B<4>,1|C<3>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	108.0130	0.000	2	108.0130	0.000	2	108.0130	0.000	2	108.0130	0.000	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H)	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H)	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H){7|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H){1|H<1>,7|C<3>}	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	109.5714	1.656	5	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[5a,5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H){5|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2){3|H<1>,7|C<3>}	110.5305	1.370	2	110.5305	1.876	2	110.5305	1.876	2	109.5714	1.656	5	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[5a,5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H){5|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2){3|H<1>,7|C<3>}	109.1380	1.195	2	109.1380	1.428	2	109.1380	1.428	2	109.5714	1.656	5	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	4:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|H<1>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H){3|H<1>,5|C<3>}	109.3323	0.291	6	109.3323	0.085	6	109.3323	0.085	6	109.2171	0.171	15	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	4:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.7670	0.092	2	109.7670	0.008	2	109.1402	0.229	9	109.2171	0.171	15	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	4:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H){3|H<1>,5|C<3>}	108.9611	0.368	7	108.9611	0.135	7	109.1402	0.229	9	109.2171	0.171	15	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:N-2:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(NC){1|H<1>,2|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	106.0190	11.026	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	103.6710	0.000	1	103.6710	0.000	1	103.6710	0.000	1	106.0190	11.026	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN){1|H<1>,2|N<3>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.7335	0.653	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN){1|C<4>,1|H<1>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	108.7335	0.653	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(C[5a]N[5a]C)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCN)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(C[5a]N[5a]C){2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCN){1|H<1>,2|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	107.1770	0.215	2	107.1770	0.046	2	107.1770	0.046	2	107.3343	0.097	3	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]S)(COO)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]N[5a]S)(COO){1|H<1>,2|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.3343	0.097	3	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a](C[5a]C[5a,6a]C[5a])(N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])	C[5a,5a](C[5a]C[5a,6a]C[5a])(N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,2|C<4>,6|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	111.0425	0.296	2	111.0425	0.088	2	111.0425	0.088	2	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5,5a]C[5a])(C[5a]C[5,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){1|N<2>,2|F<1>,2|H<1>,5|C<3>}	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,3|C<3>}	111.7220	0.000	1	111.7220	0.000	1	111.7220	0.000	1	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,4|C<3>}	108.9625	0.334	2	110.8878	2.008	10	110.7903	1.912	11	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Mn<6>,2|H<1>,3|C<3>}	111.6820	0.000	1	110.8878	2.008	10	110.7903	1.912	11	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Re<6>,2|H<1>,3|C<3>}	111.4637	0.177	3	110.8878	2.008	10	110.7903	1.912	11	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Ru<6>,2|H<1>,3|C<3>}	111.2200	1.675	4	110.8878	2.008	10	110.7903	1.912	11	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,5a]N[5a,5a]C[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|S<2>,2|C<3>,3|H<1>}	109.8150	0.000	1	109.8150	0.000	1	110.7903	1.912	11	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5])(C[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]){1|F<1>,2|H<1>,6|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	110.6110	0.501	2	110.6110	0.251	2	110.6110	0.251	2	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|F<1>,3|H<1>,6|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	110.9685	1.445	2	110.9685	2.087	2	110.9685	2.087	2	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CC[6a]C)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CC[6a]C){1|C<4>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(COO)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(COO){1|C<2>,1|C<4>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	108.3460	0.000	1	108.3460	0.000	1	108.3460	0.000	1	110.6861	1.557	20	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:4:	3:3:4:	N[5a,5a]-3:N[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,5a]-3:C[5a,6a]-3:B[5a]-4:	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3)	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC)	C[5a,5a](N[5a,5a]C[5a,5a]C[5a])(N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a,5a]2)(CH3){1|B<4>,1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]H)(CH3)	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]N[5a,5a]C[5a,6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:4:	4:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.0865	0.121	2	110.0865	0.015	2	110.0865	0.015	2	110.0865	0.015	2	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,5a]	3:4:3:	3:3:1:	3:3:3:	N[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6]-3:	C[5a,5a](N[5a,5a]C[5a,6a]C[5a,6])(B[5a]N[5a,6]Cl2)(C[5a]C[5a,6a]H)	C[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a,6])(B[5a]N[5a,6]Cl2)(C[5a]C[5a,6a]H){4|C<3>}	C[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a,6a]C[5a,6a]C[6a])(H){2|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6]){2|Cl<1>,3|H<1>,4|C<3>}	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	108.7833	5.798	91	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(H){6|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	143.0400	0.000	1	143.0400	0.000	1	143.0400	0.000	1	143.0400	0.000	1	143.0400	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H){1|N<2>,3|N<3>}	148.1236	0.170	5	148.1236	0.029	5	148.1236	0.029	5	148.1236	0.029	5	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N){2|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH){1|N<2>,3|N<3>}	148.5100	0.000	1	148.5100	0.000	1	148.5100	0.000	1	148.2423	0.039	4	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:C[5]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2){3|N<2>,3|N<3>}	148.1530	0.100	3	148.1530	0.010	3	148.1530	0.010	3	148.2423	0.039	4	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	148.1790	0.000	1	148.1790	0.000	1	148.1980	0.001	2	148.1980	0.001	2	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3){1|N<2>,3|N<3>}	148.2170	0.000	1	148.2170	0.000	1	148.1980	0.001	2	148.1980	0.001	2	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a]){2|N<2>,4|N<3>}	148.7760	0.000	1	148.7760	0.000	1	148.7760	0.000	1	148.7760	0.000	1	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	142.6333	0.321	23	142.6333	0.103	23	142.5656	0.122	27	142.5656	0.122	27	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	142.1765	0.263	4	142.1765	0.069	4	142.5656	0.122	27	142.5656	0.122	27	144.3085	7.114	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6,6]	N[5a,6,6]	3:3:4:	3:3:4:	3:3:4:	C[5a,6,6]-3:N[5a,6,6]-3:C[5,6,6]-4:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(C[5a,6,6]N[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br)	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(C[5a,6,6]N[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,2|O<2>,6|C<3>}	N[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])2(C[5,6,6]C[5,6,6a]2Br){2|C<4>,2|O<2>,6|C<3>}	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6,6]-3:C[4x6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6,6]-3:C[4x6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C-4:	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C)	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C)	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C){1|H<1>,3|C<3>,5|C<4>}	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3){2|C<3>,2|H<1>,3|C<4>}	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	109.9680	2.933	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6,6]	N[5a]	4:3:3:	3:4:3:	3:3:4:	C[5,3x6]-4:C[5a,6,6]-3:N[5a]-3:	C[5a,6,6]-3:C[3,6,6]-4:C[5a]-3:	C[5a,6,6]-3:C[5a]-3:C-4:	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C)	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N)	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3)	C[5a,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5a,6,6]C[3,6,6]C[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[5a,6,6](C[5a,6,6]C[5,3x6]N[5a])(C[3,6,6]C[3,5,6]2H)(C[5a]C[5a]N){3|H<1>,4|C<4>}	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3){1|N<3>,4|C<4>}	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	108.7570	0.000	1	109.9680	2.933	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[6,6]-3:	C[5a,6,6]-3:N[5a]-2:C[6]-3:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,3|C<3>}	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6]){1|H<1>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:C[6,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	110.7890	0.000	1	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:3:	3:4:3:	3:4:2:	N[6,6]-3:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	C[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6]){1|C<4>,1|O<1>,1|P<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H){1|C<4>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	108.6140	0.235	2	108.6140	0.055	2	108.6140	0.055	2	108.6140	0.055	2	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	109.8750	0.000	1	109.8750	0.000	1	110.4755	0.196	4	110.4755	0.196	4	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	110.7340	0.000	1	110.7340	0.000	1	110.4755	0.196	4	110.4755	0.196	4	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6])	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H){1|C<4>,5|C<3>,5|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]){3|C<4>,3|H<1>,4|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.4755	0.196	4	110.4755	0.196	4	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.8720	0.000	1	110.8720	0.000	1	110.4755	0.196	4	110.4755	0.196	4	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a]C[5a]C)(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	109.0300	0.000	1	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.3695	0.151	2	110.3695	0.023	2	110.8342	0.236	8	110.8342	0.236	8	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	111.3500	0.000	1	111.3500	0.000	1	110.8342	0.236	8	110.8342	0.236	8	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.3880	0.038	2	111.3880	0.001	2	110.8342	0.236	8	110.8342	0.236	8	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.3590	0.000	1	110.6030	0.077	3	110.8342	0.236	8	110.8342	0.236	8	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:3:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.7250	0.256	2	110.6030	0.077	3	110.8342	0.236	8	110.8342	0.236	8	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.2990	0.000	1	110.2990	0.000	1	110.9872	0.130	10	110.9872	0.130	10	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|N<3>,2|C<3>,3|H<1>,5|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.0510	0.000	1	111.0510	0.000	1	110.9872	0.130	10	110.9872	0.130	10	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.1174	0.362	5	111.1185	0.105	6	110.9872	0.130	10	110.9872	0.130	10	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.1240	0.000	1	111.1185	0.105	6	110.9872	0.130	10	110.9872	0.130	10	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	N[5a,6]	4:3:3:	3:3:4:	3:3:4:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,5|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	110.9055	0.221	2	110.9055	0.049	2	110.9872	0.130	10	110.9872	0.130	10	110.6013	0.801	28	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6]	C[5a]	N[5a,6,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a,6,6]-3:C[5a]-3:H-1:	C[5a,6,6]-3:P[3x6]-3:C[5a]-3:	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H)	C[5a](C[5a,6,6]N[5a,6,6]C[3x6])(C[5a]C[5a]H)(H)	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H)	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a,6,6]N[5a,6,6]C[3x6])(C[5a]C[5a]H)(H){1|P<3>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H){3|H<1>,4|C<3>}	108.3770	0.266	3	108.3770	0.071	3	108.3770	0.071	3	108.3770	0.071	3	108.3770	0.071	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6,6a]-3:N[5a,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](C[5a,6,6a]C[5,6,6a]N[5a,6a])(C[5a]C[5a]C)(C[6]C[6]CC)	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[5a,6,6a]C[5,6,6a]N[5a,6a])(C[5a]C[5a]C)(C[6]C[6]CC){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(N[5a]C[5a])(N[6a]C[6a]){1|B<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H){2|N<2>,2|N<3>}	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.5900	0.341	3	110.5900	0.117	3	110.5867	0.078	4	110.7172	0.044	11	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	110.5770	0.000	1	110.5770	0.000	1	110.5867	0.078	4	110.7172	0.044	11	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	110.6980	0.000	1	110.6980	0.000	1	110.7917	0.017	7	110.7172	0.044	11	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.8073	0.136	6	110.8073	0.019	6	110.7917	0.017	7	110.7172	0.044	11	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|O<2>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO){1|H<1>,3|C<3>}	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|Br<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.1640	0.000	1	110.1640	0.000	1	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H){1|H<1>,2|S<2>,5|C<3>}	110.8260	0.116	2	110.8260	0.013	2	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C){1|H<1>,7|C<3>}	111.1140	0.000	1	111.1140	0.000	1	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	111.1435	0.100	2	110.1488	3.060	25	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|Cl<1>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.9510	0.000	1	110.1488	3.060	25	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.0219	1.832	22	110.1488	3.060	25	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	110.8645	0.069	2	110.8645	0.005	2	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|H<1>,2|I<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a]){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	110.5495	0.429	2	110.5495	0.184	2	110.2872	2.381	33	110.2872	2.381	33	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	109.7103	4.417	4	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6]){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	107.0230	0.000	1	107.0230	0.000	1	107.0230	0.000	1	109.7103	4.417	4	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a])	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a]){8|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	111.1460	0.000	1	111.1460	0.000	1	111.1460	0.000	1	109.7103	4.417	4	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6]){2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	109.0740	0.000	1	109.0740	0.000	1	109.0740	0.000	1	109.7103	4.417	4	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	111.0640	0.000	1	111.2570	0.074	2	111.2217	0.041	3	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	111.4500	0.000	1	111.2570	0.074	2	111.2217	0.041	3	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	111.1510	0.000	1	111.1510	0.000	1	111.2217	0.041	3	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	109.0180	0.000	1	109.0180	0.000	1	109.1378	0.036	5	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	109.2670	0.000	1	109.2670	0.000	1	109.1378	0.036	5	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	109.3630	0.000	1	109.3630	0.000	1	109.1378	0.036	5	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	109.0205	0.183	2	109.0205	0.034	2	109.1378	0.036	5	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	110.6640	0.000	1	110.9315	0.143	2	110.9315	0.143	2	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	111.1990	0.000	1	110.9315	0.143	2	110.9315	0.143	2	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	111.7170	0.000	1	111.7170	0.000	1	111.9168	0.210	4	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	112.5550	0.000	1	112.5550	0.000	1	111.9168	0.210	4	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	111.9040	0.000	1	111.9040	0.000	1	111.9168	0.210	4	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	111.4910	0.000	1	111.4910	0.000	1	111.9168	0.210	4	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	111.6650	0.460	2	111.6650	0.211	2	111.6650	0.211	2	110.7762	1.264	19	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6]){1|I<1>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|I<1>,6|C<3>}	108.9380	0.000	1	108.9380	0.000	1	109.0860	0.044	2	109.0860	0.044	2	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	109.2340	0.000	1	109.2340	0.000	1	109.0860	0.044	2	109.0860	0.044	2	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	110.9565	0.170	2	110.9565	0.029	2	110.9565	0.029	2	110.8283	2.568	13	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	109.2970	0.701	2	109.2970	0.492	2	109.2970	0.492	2	110.8283	2.568	13	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H){1|H<1>,8|C<3>}	112.2602	0.436	6	112.2602	0.190	6	112.2602	0.190	6	110.8283	2.568	13	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H){1|H<1>,1|S<4>,5|C<3>}	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	110.8283	2.568	13	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6]){1|Cl<1>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	108.4595	0.023	2	108.4595	0.001	2	108.4595	0.001	2	110.8283	2.568	13	110.4020	2.080	85	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5,5a]	N[5a,6]	3:3:2:	3:3:4:	3:2:3:	C[5,5a]-3:N[5a,6]-3:O[6]-2:	C[5a,6]-3:C[5,5a]-3:C[5]-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6])	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W)	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6]){1|W<6>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5a,6]N[5a,6]O[6])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W){1|C<3>,1|H<1>,2|C<4>}	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	106.7570	0.554	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|O<1>,5|C<3>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	106.2320	0.000	1	106.2320	0.000	1	106.2320	0.000	1	106.7880	0.618	2	106.7570	0.554	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5,5a]-3:C[6]-3:	C[5,5a]-3:C[5a,6]-3:C[5]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C){2|H<1>,5|C<3>}	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	106.7880	0.618	2	106.7570	0.554	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	106.0050	0.000	1	106.0050	0.000	1	106.0050	0.000	1	106.0050	0.000	1	106.7570	0.554	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6,6]	3:3:2:	3:3:2:	5:3:3:	N[5a,6,6]-3:C[5a,5a]-3:N[6]-2:	C[5a,5a]-3:C[5a,6]-3:N[5a]-2:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6])	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(C[5a,6]N[5a,6,6]N[6])(N[5a]S[5a])	N[5a,6,6](Ga[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a,5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[5a,5a]C[5a,5a]N[5a])(N[6]C[5a,6]){1|Cl<1>,1|C<3>,1|S<2>,2|N<2>,3|N<3>}	C[5a,5a](C[5a,5a]C[5a,6]N[5a])(C[5a,6]N[5a,6,6]N[6])(N[5a]S[5a]){1|Ga<5>,1|C<3>,1|N<2>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a,5a]N[6])2{2|N<2>,6|C<3>}	108.0840	0.311	14	108.0840	0.096	14	108.0840	0.096	14	108.0840	0.096	14	108.0840	0.096	14	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,5a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H){1|H<1>,2|F<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a]){1|H<1>,2|F<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	109.0040	0.000	1	108.7993	0.689	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|F<1>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a]){1|H<1>,2|F<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	108.7993	0.689	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:2:	4:3:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a])	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,5|C<3>}	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	108.7993	0.689	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6])	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	108.7993	0.689	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	108.7993	0.689	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	108.7500	0.000	2	108.7500	0.000	2	108.7500	0.000	2	108.8964	0.055	5	108.7993	0.689	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	108.9940	0.273	3	108.9940	0.074	3	108.9940	0.074	3	108.8964	0.055	5	108.7993	0.689	10	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	N[5a,6]	3:3:3:	4:3:3:	3:3:4:	C[5a,6,6]-3:N[5a,6]-3:C[6]-3:	C[3x6]-4:C[5a,6,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>,3|C<4>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	107.2305	0.104	2	107.2305	0.011	2	107.2305	0.011	2	107.2305	0.011	2	107.2305	0.011	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C){1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	104.1925	1.091	2	104.1925	1.190	2	104.1925	1.190	2	104.1925	1.190	2	105.0615	1.409	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	105.0615	1.409	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6,6a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6,6a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|C<4>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	106.0220	0.000	1	106.0220	0.000	1	106.0220	0.000	1	106.0220	0.000	1	105.0615	1.409	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5,5a]	3:3:4:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH)	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]CH){1|C<4>,3|C<3>,4|H<1>}	108.3960	0.100	4	108.3960	0.010	4	108.3960	0.010	4	108.3960	0.010	4	108.8295	0.434	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5,5a]	3:3:4:	3:3:4:	3:3:3:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|O<1>,1|W<6>,2|C<3>,2|C<4>,3|H<1>}	108.4290	0.000	1	108.4290	0.000	1	109.2950	1.500	2	109.2950	1.500	2	108.8295	0.434	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5,5a]	3:3:4:	3:3:4:	3:3:3:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N)	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]S[5])(C[5]N[5]N){2|C<4>,2|H<1>,3|O<1>}	110.1610	0.000	1	110.1610	0.000	1	109.2950	1.500	2	109.2950	1.500	2	108.8295	0.434	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5,5a]	3:3:4:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5,5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH)	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH)	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	N[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	109.2310	0.000	2	109.2310	0.000	2	109.2310	0.000	2	109.2310	0.000	2	108.8295	0.434	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,5a]	3:3:4:	3:2:4:	3:3:3:	N[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br){1|C<3>,2|C<4>,2|H<1>}	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	111.2770	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6,6]	3:3:2:	3:3:2:	3:3:4:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6])	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<3>,1|N<2>,2|N<3>,3|C<2>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]){1|B<4>,1|C<2>,1|C<3>,1|N<2>}	N[5a,6,6](C[5a,6]C[5a,6]N[6])2(B[3x6]N[5a,6,6]2C){2|C<2>,4|C<3>}	105.4331	0.339	11	105.4331	0.115	11	105.4331	0.115	11	105.4331	0.115	11	105.9192	1.512	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>,2|I<1>,3|N<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	108.3760	0.000	1	108.5930	0.094	2	108.5930	0.094	2	108.5930	0.094	2	105.9192	1.512	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|C<2>,1|C<3>,1|N<2>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6]N[6])2{8|C<3>}	108.8100	0.000	1	108.5930	0.094	2	108.5930	0.094	2	108.5930	0.094	2	105.9192	1.512	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	105.5610	0.000	1	105.5610	0.000	1	105.5610	0.000	1	105.5610	0.000	1	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S){2|H<1>,3|C<3>}	106.2995	0.640	2	106.2995	0.410	2	106.2995	0.410	2	107.3481	0.667	7	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	108.1360	0.000	1	107.8632	0.111	4	107.7676	0.129	5	107.3481	0.667	7	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	107.7723	0.342	3	107.8632	0.111	4	107.7676	0.129	5	107.3481	0.667	7	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	107.3850	0.000	1	107.3850	0.000	1	107.7676	0.129	5	107.3481	0.667	7	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	C[5a,6](C[5a,6]N[5a,6]N[6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a,6]N[6])(C[5a]C[5a,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|C<4>,3|H<1>}	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	108.2469	0.449	7	108.2469	0.201	7	108.2469	0.201	7	108.2563	0.261	10	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6])	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,2|F<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	108.6950	0.317	2	108.6950	0.100	2	108.6950	0.100	2	108.2563	0.261	10	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	108.2563	0.261	10	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|I<1>,1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|I<1>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	108.1150	0.351	4	108.1150	0.123	4	108.1150	0.123	4	108.2612	0.199	5	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<3>,2|C<4>,5|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.2612	0.199	5	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C)	C[5a,6](C[5a,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6]H)	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6]H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	109.6377	0.315	4	109.6377	0.099	4	109.6377	0.099	4	109.9744	0.255	9	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C){1|B<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,3|C<3>,3|H<1>}	110.7385	0.192	2	110.7385	0.037	2	110.7385	0.037	2	109.9744	0.255	9	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	109.9140	0.192	3	109.9140	0.037	3	109.9140	0.037	3	109.9744	0.255	9	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:4:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6])	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	108.6881	3.422	35	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5,6]-3:C[5a,6]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6])	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6])	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6]){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[5,6])(N[5a]C[5a,6a])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	105.6430	0.789	2	105.6430	0.623	2	105.6430	0.623	2	105.6430	0.623	2	106.3368	4.532	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5a,6]O)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	106.3368	4.532	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	106.3368	4.532	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	C[5a,6](C[5a,6]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	108.5685	0.128	2	108.5685	0.016	2	108.5685	0.016	2	108.1443	0.548	3	106.3368	4.532	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH)	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|O<2>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	108.1443	0.548	3	106.3368	4.532	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6a]	3:3:4:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH)	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(O[6]C[6,6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	101.8960	0.000	1	101.8960	0.000	1	101.8960	0.000	1	101.8960	0.000	1	106.3368	4.532	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	106.3368	4.532	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,1|C<3>}	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:2:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6]){3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(H){2|C<3>}	104.1840	0.000	1	104.1840	0.000	1	104.1840	0.000	1	104.1840	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:2:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	105.0738	0.159	5	105.0738	0.025	5	105.0738	0.025	5	105.0738	0.025	5	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|H<1>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	105.4690	0.525	2	105.4788	0.681	32	105.4763	0.640	34	105.4763	0.640	34	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<1>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	101.5080	0.000	1	105.4788	0.681	32	105.4763	0.640	34	105.4763	0.640	34	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	105.1010	0.000	1	105.4788	0.681	32	105.4763	0.640	34	105.4763	0.640	34	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	105.6349	0.397	28	105.4788	0.681	32	105.4763	0.640	34	105.4763	0.640	34	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	105.4355	0.049	2	105.4355	0.002	2	105.4763	0.640	34	105.4763	0.640	34	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	103.2540	0.000	1	103.2540	0.000	1	103.2540	0.000	1	103.2540	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.9044	0.301	9	106.0238	0.123	12	105.9060	0.197	16	105.9060	0.197	16	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.3817	0.244	3	106.0238	0.123	12	105.9060	0.197	16	105.9060	0.197	16	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	104.9530	0.000	1	104.9530	0.000	1	105.9060	0.197	16	105.9060	0.197	16	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){2|C<3>}	106.2510	0.000	1	106.2510	0.000	1	105.9060	0.197	16	105.9060	0.197	16	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|H<1>,1|O<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	105.5035	0.284	2	105.5035	0.080	2	105.9060	0.197	16	105.9060	0.197	16	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:4:3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.8320	0.449	6	105.8320	0.202	6	105.8262	0.201	9	105.8262	0.201	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:4:3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.0250	0.000	1	106.0250	0.000	1	105.8262	0.201	9	105.8262	0.201	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:4:3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.7095	0.730	2	105.7095	0.534	2	105.8262	0.201	9	105.8262	0.201	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<2>,1|C<4>,1|S<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]S[6]){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	106.5040	0.003	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6]){2|C<3>,2|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]O[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>}	106.4670	0.000	1	106.4670	0.000	1	106.4670	0.000	1	106.5040	0.003	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]S[6])(N[5a]C[5a,6]H)(N[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a])	N[5a](C[5a,6]C[5a,6]N[6])2(H)	C[5a,6](C[5a,6]C[5a,6]S[6])(N[5a]C[5a,6]H)(N[6]C[6,6a]){1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]N[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])2(H){2|C<3>,2|S<2>}	106.7455	0.346	2	106.7455	0.120	2	106.7455	0.120	2	107.3020	0.696	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]C[5a]H)(N[6]C[6]){2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	107.3020	0.696	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]H)(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]H)(N[6]C[5a,6]){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H){1|H<1>,1|N<2>,3|C<3>}	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	107.3020	0.696	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a]){1|Rh<8>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	105.8550	0.000	1	105.8550	0.000	1	105.8550	0.000	1	105.8550	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	106.8310	0.000	1	106.8310	0.000	1	107.1385	0.189	2	107.1385	0.189	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	107.4460	0.000	1	107.4460	0.000	1	107.1385	0.189	2	107.1385	0.189	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	106.5672	0.651	12	106.5672	0.424	12	106.6200	0.425	13	106.6200	0.425	13	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	107.2540	0.000	1	107.2540	0.000	1	106.6200	0.425	13	106.6200	0.425	13	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N){3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	107.6065	0.162	2	107.6065	0.026	2	107.6065	0.026	2	107.7717	0.095	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	107.7717	0.095	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]){2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|H<1>,4|C<3>}	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	109.1620	6.968	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,2|C<3>}	107.1470	0.000	1	107.1470	0.000	1	106.8805	0.142	2	109.1620	6.968	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	106.6140	0.000	1	106.6140	0.000	1	106.8805	0.142	2	109.1620	6.968	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]C[6,6a]){1|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH){1|H<1>,1|N<3>,3|C<3>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	109.1620	6.968	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,4|C<3>}	113.5810	0.000	1	113.5810	0.000	1	113.5810	0.000	1	109.1620	6.968	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	109.1620	6.968	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<3>,1|S<2>,2|C<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS){1|C<4>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	108.6730	3.085	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3){1|C<4>,2|C<3>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	108.6730	3.085	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H){1|H<1>,2|C<3>,2|C<4>}	110.3025	0.384	2	110.3025	0.147	2	110.3025	0.147	2	110.3025	0.147	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	109.0203	0.784	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	109.5940	0.000	1	109.5940	0.000	1	109.3377	0.571	3	109.0203	0.784	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|N<3>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.9320	0.000	1	109.9320	0.000	1	109.3377	0.571	3	109.0203	0.784	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH){1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	108.4870	0.000	1	108.4870	0.000	1	109.3377	0.571	3	109.0203	0.784	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO){1|C<4>,1|H<1>,3|C<3>}	112.5820	0.000	1	112.5820	0.000	1	112.3860	0.305	6	110.5518	6.047	12	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	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>}	113.2100	0.000	1	113.2100	0.000	1	112.3860	0.305	6	110.5518	6.047	12	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|H<1>,2|C<3>,2|C<4>}	111.5350	0.000	1	111.5350	0.000	1	112.3860	0.305	6	110.5518	6.047	12	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|C<4>,1|H<1>,3|C<3>}	112.3297	0.189	3	112.3297	0.036	3	112.3860	0.305	6	110.5518	6.047	12	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO){1|H<1>,2|C<3>,2|C<4>}	109.7280	0.000	1	109.7280	0.000	1	109.6174	0.085	5	110.5518	6.047	12	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO){1|H<1>,2|C<3>,2|C<4>}	109.5898	0.329	4	109.5898	0.108	4	109.6174	0.085	5	110.5518	6.047	12	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(S[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	104.2190	0.000	1	104.2190	0.000	1	104.2190	0.000	1	110.5518	6.047	12	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	111.8063	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	112.6170	0.291	2	112.6170	0.085	2	112.6170	0.085	2	111.8063	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	111.5400	0.000	1	111.5400	0.000	1	111.1853	0.210	3	111.8063	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	111.3480	0.000	1	111.0080	0.231	2	111.1853	0.210	3	111.8063	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	110.6680	0.000	1	111.0080	0.231	2	111.1853	0.210	3	111.8063	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:2:	3:3:1:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H){2|C<4>}	114.1200	0.387	2	114.2957	0.168	3	114.2957	0.168	3	114.2957	0.168	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:2:	3:3:1:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6])	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H)	C[5a,6](C[5a,6]S[5a]C[6])(N[5a]C[5a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]S[6])(C[5a]S[5a]O)(H){2|C<4>}	114.6470	0.000	1	114.2957	0.168	3	114.2957	0.168	3	114.2957	0.168	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<3>,4|C<4>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.7320	0.000	1	109.7320	0.000	1	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	110.3670	0.000	1	110.0424	0.249	11	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	110.1050	0.000	1	110.0424	0.249	11	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.4650	0.222	2	110.0424	0.249	11	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	110.7210	0.000	1	110.0424	0.249	11	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	110.2228	0.310	5	110.0424	0.249	11	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	109.2290	0.000	1	110.0424	0.249	11	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	109.5640	0.000	1	109.5640	0.000	1	109.9817	0.231	13	109.8971	0.313	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6])	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.0820	0.324	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[5a,6]N[5a]O[6]){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	111.0820	0.324	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5]C[6]O[5])(C[5a,6]N[5a]S[6]){2|C<4>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	111.0820	0.324	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6]){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	111.0820	0.324	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6])	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,2|C<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	114.9650	0.000	1	114.9650	0.000	1	114.5510	0.343	2	114.5510	0.343	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6])	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	114.1370	0.000	1	114.1370	0.000	1	114.5510	0.343	2	114.5510	0.343	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:2:4:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6])	C[5a,6](C[5,6]N[5]N[6]S[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|S<2>,2|H<1>,2|N<3>}	C[5a,6](C[5,6]N[5]N[6]S[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]H){1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){2|C<4>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.7690	0.061	2	109.7690	0.004	2	109.8343	0.035	6	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<2>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.9925	0.301	2	109.8670	0.053	4	109.8343	0.035	6	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.7415	0.084	2	109.8670	0.053	4	109.8343	0.035	6	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	C[5a,6](C[6,6]C[6,6a]C[3x6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	109.7330	0.000	1	109.7330	0.000	1	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.5490	0.000	1	109.7020	0.047	2	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.8550	0.000	1	109.7020	0.047	2	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	110.5380	0.000	1	110.5380	0.000	1	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<4>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	109.0470	0.000	1	109.1520	0.022	2	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){3|C<3>,5|C<4>}	C[5a,6](C[6,6]C[6,6a]C[6,6]C)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	109.2570	0.000	1	109.1520	0.022	2	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<2>,2|C<4>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.6080	0.000	1	109.9485	0.232	2	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){2|C<4>,6|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	110.2890	0.000	1	109.9485	0.232	2	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|C<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	109.5250	0.000	1	109.5108	0.136	6	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	109.1195	0.199	2	109.5108	0.136	6	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	109.7670	0.263	3	109.5108	0.136	6	109.6386	0.198	14	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	110.0960	0.404	2	110.0960	0.164	2	110.0960	0.164	2	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	4:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6])	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	109.6717	0.241	23	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	107.3870	0.000	1	107.3870	0.000	1	107.6580	0.542	3	107.6580	0.542	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,1|N<3>,1|S<1>}	107.7935	0.986	2	107.7935	0.973	2	107.6580	0.542	3	107.6580	0.542	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C){1|C<3>,2|H<1>,2|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	105.3510	0.000	1	105.3510	0.000	1	105.9413	0.306	3	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	106.0260	0.000	1	106.2365	0.089	2	105.9413	0.306	3	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	106.4470	0.000	1	106.2365	0.089	2	105.9413	0.306	3	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	104.9430	0.794	16	104.9591	0.544	20	104.9591	0.544	20	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	104.9220	0.000	1	104.9591	0.544	20	104.9591	0.544	20	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	104.5370	0.000	1	104.9591	0.544	20	104.9591	0.544	20	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){3|N<3>}	105.3170	0.669	2	104.9591	0.544	20	104.9591	0.544	20	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Ru<6>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){1|Ru<6>,2|C<3>}	105.0470	0.000	1	105.0470	0.000	1	105.0470	0.000	1	105.0855	0.586	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	106.1877	0.346	3	106.1877	0.120	3	106.1877	0.120	3	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,2|N<2>}	104.1360	0.000	1	104.1360	0.000	1	104.8600	1.048	2	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Rh<6>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	105.5840	0.000	1	105.5840	0.000	1	104.8600	1.048	2	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cd)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cd){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Cd<6>,2|C<3>}	107.7565	0.445	2	107.7565	0.198	2	106.6378	0.606	9	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Co)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Co){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Co<5>,2|C<3>}	106.6120	0.000	1	106.6120	0.000	1	106.6378	0.606	9	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O){1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|C<3>}	106.9370	0.000	1	106.9370	0.000	1	106.6378	0.606	9	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd){1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	106.3043	0.307	3	106.3043	0.095	3	106.6378	0.606	9	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pt<4>,2|C<3>}	106.3280	0.000	1	106.3280	0.000	1	106.6378	0.606	9	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Rh){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Rh<6>,2|C<3>}	105.4370	0.000	1	105.4370	0.000	1	106.6378	0.606	9	106.2874	0.873	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:O-1:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a])	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O){1|C<3>,2|N<3>}	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH){1|O<1>,2|C<3>}	104.8090	0.000	1	104.8090	0.000	1	104.8090	0.000	1	104.8090	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]){1|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.4315	0.781	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,3|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|N<3>}	107.2480	0.000	1	107.2480	0.000	1	107.4079	0.832	14	107.4315	0.781	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|N<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|N<3>}	107.4827	0.962	12	107.4827	0.926	12	107.4079	0.832	14	107.4315	0.781	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	106.6710	0.000	1	106.6710	0.000	1	107.4079	0.832	14	107.4315	0.781	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	104.7463	0.297	10	104.7463	0.088	10	104.7100	0.094	11	104.7100	0.094	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	104.3470	0.000	1	104.3470	0.000	1	104.7100	0.094	11	104.7100	0.094	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	105.5423	0.479	3	105.5423	0.229	3	105.5423	0.229	3	107.1968	2.189	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:S[6]-2:	C[5a,5a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S)	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S){1|C<3>,1|C<4>,1|S<2>}	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6]){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|S<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH){1|O<1>,1|S<1>,4|S<2>}	108.2960	0.057	2	108.2960	0.003	2	108.2960	0.003	2	107.1968	2.189	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<3>,2|N<2>}	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	107.1968	2.189	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6]Pt)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|Pt<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	105.5490	0.000	1	105.5490	0.000	1	105.5490	0.000	1	107.1968	2.189	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H){1|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6]){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.8985	0.770	2	107.8985	0.593	2	107.8985	0.593	2	107.1968	2.189	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	107.1968	2.189	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S){1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]N[5a,6]){1|B<4>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3){1|B<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	109.5910	0.000	1	109.5910	0.000	1	109.5910	0.000	1	107.1968	2.189	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[5a,6]C)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[5a,6]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H){1|C<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	106.7795	0.970	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){4|C<3>}	106.0830	0.000	1	106.0830	0.000	1	106.0830	0.000	1	106.7795	0.970	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|B<4>,1|N<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|H<1>,2|N<3>,3|C<3>}	109.1989	0.299	7	109.1989	0.089	7	109.1989	0.089	7	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.5915	0.697	6	109.5915	0.485	6	109.5915	0.485	6	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	108.0750	0.041	2	108.0750	0.002	2	107.7027	0.417	3	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H){1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|N<2>,3|C<3>}	106.9580	0.000	1	106.9580	0.000	1	107.7027	0.417	3	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|O<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(H){1|O<1>,1|S<2>,2|C<3>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:B[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H){1|H<1>,1|O<1>,4|C<3>}	109.3345	0.281	2	109.3345	0.079	2	109.3345	0.079	2	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|S<2>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<1>,1|S<2>,2|C<3>}	109.5070	0.000	1	109.5070	0.000	1	108.7223	1.007	4	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|S<2>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|O<1>,1|S<2>,4|C<3>}	109.0630	0.151	2	109.0630	0.023	2	108.7223	1.007	4	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H){6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<2>,3|C<3>}	107.2560	0.000	1	107.2560	0.000	1	108.7223	1.007	4	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C){1|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.6180	0.000	1	107.6180	0.000	1	108.1600	0.286	3	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	108.1750	0.000	1	108.1750	0.000	1	108.1600	0.286	3	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	108.6870	0.000	1	108.6870	0.000	1	108.1600	0.286	3	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|O<1>,2|N<3>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6]){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	109.9550	0.000	1	109.9550	0.000	1	109.6359	1.247	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	108.9755	0.257	2	108.9680	0.033	3	109.6359	1.247	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	108.9530	0.000	1	108.9680	0.033	3	109.6359	1.247	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,5|C<3>}	109.0000	0.000	1	109.0000	0.000	1	109.6359	1.247	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	109.2850	0.000	1	109.2850	0.000	1	109.6359	1.247	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|H<1>,3|C<3>}	109.0100	0.679	2	109.0100	0.461	2	109.6359	1.247	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	111.5975	0.501	2	111.5975	0.251	2	109.6359	1.247	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	108.7070	0.000	1	108.7070	0.000	1	107.9640	1.104	2	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C){2|C<3>,3|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.2210	0.000	1	107.2210	0.000	1	107.9640	1.104	2	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<5>,1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	109.3210	0.000	1	109.3210	0.000	1	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu){1|N<2>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	109.0780	0.000	1	109.0780	0.000	1	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.6265	0.385	2	109.6265	0.149	2	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	108.6840	0.000	1	108.6840	0.000	1	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Pt<4>,1|H<1>,2|C<3>}	108.5700	0.000	1	108.5700	0.000	1	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh){2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H){1|Rh<5>,1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Rh<5>,3|C<3>}	108.3700	0.000	1	108.3700	0.000	1	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh){2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Rh<5>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Rh<5>,3|C<3>}	108.0775	0.004	2	108.0775	0.000	2	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Ru<7>,1|H<1>,2|C<3>}	108.7290	0.000	1	108.7290	0.000	1	108.8160	0.351	10	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O){1|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	106.5380	0.000	1	106.5380	0.000	1	106.5380	0.000	1	108.8894	1.031	53	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|C<2>,1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	107.9627	0.833	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	107.9627	0.833	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	108.5530	0.249	2	108.5530	0.062	2	108.5530	0.062	2	107.9627	0.833	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O){2|C<4>,2|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	108.6590	0.020	2	108.6590	0.000	2	108.6590	0.000	2	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	109.1260	0.000	1	109.1260	0.000	1	109.1260	0.000	1	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	108.1560	0.000	1	108.1560	0.000	1	108.0013	0.018	3	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	107.9240	0.006	2	107.9240	0.000	2	108.0013	0.018	3	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Br<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	108.9110	0.000	1	109.2450	0.095	3	109.2450	0.095	3	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	109.5180	0.000	1	109.2450	0.095	3	109.2450	0.095	3	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Pd<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	109.3060	0.000	1	109.2450	0.095	3	109.2450	0.095	3	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCN)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCN){1|Pd<4>,1|H<1>,2|C<3>}	107.8865	0.035	2	107.8865	0.001	2	107.8865	0.001	2	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Cu)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Cu){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2){1|Cu<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.9045	0.211	2	107.9045	0.045	2	107.9045	0.045	2	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	108.1155	0.272	4	108.2154	0.380	8	108.2515	0.302	10	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,3|H<1>,4|C<3>}	108.0980	1.469	2	108.2154	0.380	8	108.2515	0.302	10	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<5>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	108.5325	0.105	2	108.2154	0.380	8	108.2515	0.302	10	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Rh){3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	108.3960	0.099	2	108.3960	0.010	2	108.2515	0.302	10	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Pt){1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H){1|Pt<4>,2|H<1>,4|C<3>}	109.6360	0.000	1	109.6360	0.000	1	109.6360	0.000	1	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	109.1170	0.000	1	109.1962	0.117	5	109.1962	0.117	5	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|N<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	109.2160	0.392	4	109.1962	0.117	5	109.1962	0.117	5	108.5482	0.430	29	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|N<3>,3|C<3>}	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C){1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.6800	0.000	1	109.6800	0.000	1	109.6800	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.7880	0.000	1	107.7880	0.000	1	108.1805	0.308	2	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	108.5730	0.000	1	108.5730	0.000	1	108.1805	0.308	2	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|O<1>,2|C<3>}	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.3910	0.000	1	105.3910	0.000	1	105.3910	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	109.5310	0.000	1	109.5310	0.000	1	110.0298	0.518	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|H<1>,4|C<3>}	110.4110	0.436	2	110.4110	0.190	2	110.0298	0.518	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	109.1815	0.442	2	109.1815	0.195	2	110.0298	0.518	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H){5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	109.9220	0.000	1	109.9220	0.000	1	110.0298	0.518	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	110.6200	0.000	1	110.8000	0.065	2	110.0298	0.518	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	110.9800	0.000	1	110.8000	0.065	2	110.0298	0.518	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H){1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<7>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	109.9580	0.307	2	109.9580	0.094	2	109.9918	0.404	16	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ir)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<6>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ir){1|H<1>,2|C<3>}	111.3790	0.523	2	111.3790	0.274	2	109.9918	0.404	16	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Li<4>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	109.6870	0.054	2	109.6870	0.003	2	109.9918	0.404	16	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<7>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	109.6670	0.243	2	109.6670	0.059	2	109.9918	0.404	16	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<7>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Rh<7>,1|H<1>,2|C<3>}	110.0015	0.206	6	110.0015	0.042	6	109.9918	0.404	16	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ru)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ru){1|H<1>,2|C<3>}	109.2390	0.188	2	109.2390	0.035	2	109.9918	0.404	16	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cu)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cu){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	107.5415	0.008	2	107.5415	0.000	2	107.9416	0.404	20	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH){1|Pt<4>,1|H<1>,2|C<3>}	107.8632	0.678	8	107.8632	0.460	8	107.9416	0.404	20	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	107.5575	0.429	2	107.4493	0.090	4	107.9416	0.404	20	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	107.3410	0.195	2	107.4493	0.090	4	107.9416	0.404	20	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	108.5075	0.428	6	108.5075	0.184	6	107.9416	0.404	20	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:P-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,2|C<3>}	109.7557	0.397	3	109.7557	0.158	3	109.8200	0.141	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:P-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Pd)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Pd){1|H<1>,2|C<3>}	110.1690	0.245	2	110.1690	0.060	2	109.8200	0.141	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:P-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Rh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Rh){1|H<1>,2|C<3>}	109.5410	0.445	2	109.5410	0.198	2	109.8200	0.141	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:P-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Rh)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Rh){1|H<1>,2|C<3>}	109.8730	0.000	1	109.8730	0.000	1	109.8200	0.141	8	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]2C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]2C){1|Pd<4>,1|H<1>,2|C<3>}	109.2925	0.080	2	109.2925	0.006	2	110.2348	0.446	12	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]3){1|Pd<4>,1|H<1>,2|C<3>}	109.7335	0.254	2	109.7335	0.064	2	110.2348	0.446	12	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]CC)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]CC){1|Pd<4>,1|H<1>,2|C<3>}	110.0480	0.052	2	110.0480	0.003	2	110.2348	0.446	12	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC){1|H<1>,2|C<3>}	110.8192	0.407	4	110.7320	0.162	5	110.2348	0.446	12	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC){1|H<1>,2|C<3>}	110.3830	0.000	1	110.7320	0.162	5	110.2348	0.446	12	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru){1|Cl<1>,1|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC){1|H<1>,2|C<3>}	111.0090	0.000	1	111.0090	0.000	1	110.2348	0.446	12	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Ir)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Ir)(CCHH){2|C<3>,2|C<4>}	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	111.6380	0.000	1	111.6380	0.000	1	111.6380	0.000	1	109.2207	1.689	75	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:5:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-5:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]RhCH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<8>,1|B<5>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]RhCH){1|H<1>,2|C<3>}	110.4225	0.497	4	110.4225	0.247	4	110.2525	0.417	14	110.2525	0.417	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:5:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-5:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|B<5>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	110.4913	0.740	6	110.1845	0.502	10	110.2525	0.417	14	110.2525	0.417	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:5:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-5:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<5>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	109.7230	0.061	2	110.1845	0.502	10	110.2525	0.417	14	110.2525	0.417	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:5:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-5:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|B<5>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	109.7255	0.602	2	110.1845	0.502	10	110.2525	0.417	14	110.2525	0.417	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:B-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Li<4>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	109.5525	0.075	4	109.5525	0.006	4	109.7425	0.095	6	109.7425	0.095	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:B-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<7>,1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	110.1225	0.165	2	110.1225	0.027	2	109.7425	0.095	6	109.7425	0.095	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:5:3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:B-5:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]RuH)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|B<5>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]RuH)(C[5a]C[5a]H){1|H<1>,2|C<3>}	110.3663	0.438	4	110.3663	0.192	4	110.3663	0.192	4	110.3663	0.192	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	107.1970	0.000	1	107.1970	0.000	1	107.1970	0.000	1	107.4565	0.300	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H)	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	108.0870	0.018	2	108.0870	0.000	2	108.0870	0.000	2	107.4565	0.300	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	106.7980	0.000	1	106.7980	0.000	1	107.1227	0.151	3	107.4565	0.300	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	107.0170	0.000	1	107.0170	0.000	1	107.1227	0.151	3	107.4565	0.300	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|C<4>}	107.5530	0.000	1	107.5530	0.000	1	107.1227	0.151	3	107.4565	0.300	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:S-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S){1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|S<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	111.0070	0.000	1	111.0070	0.000	1	109.9196	0.273	7	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.7383	0.227	6	109.7383	0.052	6	109.9196	0.273	7	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.0450	0.000	1	110.0450	0.000	1	109.6990	0.672	4	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	110.5640	0.000	1	109.5837	0.928	3	109.6990	0.672	4	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	109.0935	0.644	2	109.5837	0.928	3	109.6990	0.672	4	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){4|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){2|C<4>,4|C<3>}	108.5290	0.000	1	108.5290	0.000	1	110.3903	0.459	12	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	110.6600	0.327	8	110.6215	0.094	10	110.3903	0.459	12	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|N<2>,2|C<4>,3|C<3>}	110.4675	0.202	2	110.6215	0.094	10	110.3903	0.459	12	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.9400	0.000	1	109.9400	0.000	1	110.3903	0.459	12	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H){1|C<4>,2|N<2>,3|C<3>}	110.0845	0.091	2	110.0845	0.008	2	110.0845	0.008	2	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.1220	0.462	2	110.1220	0.214	2	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,5|C<3>}	108.8510	0.000	1	108.8510	0.000	1	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	108.9847	0.312	3	108.9847	0.097	3	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	110.0120	0.000	1	110.0120	0.000	1	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.2450	0.169	3	110.2419	0.060	15	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<3>,3|C<4>}	110.5498	0.119	4	110.2419	0.060	15	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.1240	0.000	1	110.2419	0.060	15	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.3290	0.000	1	110.2419	0.060	15	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.0585	0.121	4	110.2419	0.060	15	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	110.1470	0.000	1	110.2419	0.060	15	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.8600	0.000	1	110.2419	0.060	15	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	110.1550	0.000	1	110.1550	0.000	1	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	110.0650	0.000	1	109.6503	0.068	6	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.6715	0.144	2	109.6503	0.068	6	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	109.4125	0.176	2	109.6503	0.068	6	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.6690	0.000	1	109.6503	0.068	6	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	110.5200	0.000	1	110.5200	0.000	1	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.8500	0.228	2	110.7832	0.023	4	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.7165	0.021	2	110.7832	0.023	4	110.0411	0.315	34	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(N[6]C[6,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(N[6]C[6,6a]S){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	108.8390	0.020	2	108.8390	0.000	2	108.8390	0.000	2	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.5905	0.036	2	110.5905	0.001	2	110.5905	0.001	2	110.0277	0.510	66	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	107.4327	0.716	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH){1|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	107.9063	0.546	7	107.9063	0.298	7	107.9063	0.298	7	107.4327	0.716	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	106.1980	0.000	1	106.1980	0.000	1	106.3117	0.013	3	107.4327	0.716	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]S[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]S[6]HH){3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	106.3685	0.080	2	106.3685	0.006	2	106.3117	0.013	3	107.4327	0.716	11	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<2>,5|C<3>}	C[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){2|C<2>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	109.7610	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	109.7610	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.7610	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.2665	0.134	2	110.2665	0.018	2	110.3610	0.036	3	109.7610	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	110.5500	0.000	1	110.5500	0.000	1	110.3610	0.036	3	109.7610	0.607	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.1560	0.372	2	110.1560	0.138	2	110.1560	0.138	2	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.7790	0.000	1	110.7790	0.000	1	110.7790	0.000	1	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H){1|S<4>,2|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	110.0060	0.000	1	110.0060	0.000	1	110.2470	0.116	2	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.4880	0.000	1	110.4880	0.000	1	110.2470	0.116	2	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH){1|C<4>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	108.3620	0.000	1	108.3620	0.000	1	108.3620	0.000	1	110.0761	0.953	9	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:2:	3:2:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]S[6]HH)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I){1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]S[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|I<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	103.7030	0.000	1	103.7030	0.000	1	103.7030	0.000	1	105.2870	5.018	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:2:	3:2:4:	N[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	105.2870	5.018	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:2:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	103.9850	0.000	1	103.9850	0.000	1	104.0105	0.001	2	104.0105	0.001	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:2:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]S[6]HH)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]S[6]HH)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	104.0360	0.000	1	104.0360	0.000	1	104.0105	0.001	2	104.0105	0.001	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H){2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	107.7385	0.039	2	107.9335	0.070	4	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	108.1285	0.235	2	107.9335	0.070	4	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6a]HH)(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H){3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6a]HH)(C[5a]N[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	108.7180	0.000	1	108.7180	0.000	1	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]HH)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]HH)(C[5a]N[5a]C){2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	107.5110	0.000	1	107.5110	0.000	1	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	107.8423	0.288	4	107.8423	0.083	4	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	108.5420	0.000	1	108.5420	0.000	1	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	108.9105	0.013	2	109.1366	0.063	7	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	109.2520	0.000	1	109.1366	0.063	7	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	109.2207	0.279	4	109.1366	0.063	7	108.4350	0.449	18	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a]){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	108.0453	0.191	4	108.0453	0.037	4	108.0453	0.037	4	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]C[5]2C[6])(C[5a]C[6a]N[5a]){3|O<1>,7|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	108.1957	0.699	24	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	109.0255	1.366	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	109.0255	1.366	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	4:3:3:	3:2:4:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H)	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCC)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCC){1|C<3>,1|C<4>,2|H<1>}	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:2:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	105.0240	0.000	1	105.0240	0.000	1	105.2035	0.064	2	105.2035	0.064	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:2:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	105.3830	0.000	1	105.3830	0.000	1	105.2035	0.064	2	105.2035	0.064	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O){1|C<3>,1|C<4>,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>}	106.3615	0.207	2	106.3615	0.043	2	106.3615	0.043	2	106.3615	0.043	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	109.2765	0.556	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	109.8400	0.000	1	109.6030	0.112	2	109.5187	0.130	4	109.2765	0.556	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	109.3660	0.000	1	109.6030	0.112	2	109.5187	0.130	4	109.2765	0.556	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	109.7870	0.000	1	109.7870	0.000	1	109.5187	0.130	4	109.2765	0.556	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	109.0820	0.000	1	109.0820	0.000	1	109.5187	0.130	4	109.2765	0.556	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){3|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	109.7100	0.000	1	109.7100	0.000	1	109.7100	0.000	1	109.2765	0.556	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,3|H<1>}	107.2230	0.000	1	107.2230	0.000	1	107.2230	0.000	1	107.0806	0.339	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	106.8150	0.000	1	106.8150	0.000	1	106.6520	0.028	3	107.0806	0.339	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN){1|C<3>,1|N<2>,1|O<1>,4|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	106.5705	0.128	2	106.5705	0.016	2	106.6520	0.028	3	107.0806	0.339	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(OH){1|C<4>,3|C<3>,3|H<1>}	107.8545	0.436	2	107.8545	0.190	2	107.8545	0.190	2	107.0806	0.339	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,5|H<1>}	106.8785	0.528	2	106.8785	0.279	2	106.8785	0.279	2	107.0806	0.339	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	109.2000	0.016	2	109.2000	0.000	2	109.2000	0.000	2	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	108.8580	0.000	1	108.8580	0.000	1	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	108.3010	0.000	1	108.3010	0.000	1	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	108.0220	0.000	1	108.0220	0.000	1	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	107.4580	0.000	1	107.4580	0.000	1	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,2|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,3|C<3>,3|H<1>}	107.9820	0.000	1	107.9820	0.000	1	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	108.0217	0.128	7	108.0217	0.016	7	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	108.5500	0.000	1	108.5500	0.000	1	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	108.5650	0.494	2	108.5650	0.244	2	108.1635	0.143	15	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(NCH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(NCH){2|C<4>,2|H<1>,3|C<3>}	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]HH){1|N<3>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	109.7400	0.000	1	109.7400	0.000	1	109.4245	0.199	2	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO){1|C<4>,3|C<3>,3|H<1>}	109.1090	0.000	1	109.1090	0.000	1	109.4245	0.199	2	108.3583	0.382	20	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	109.2200	0.000	1	109.2200	0.000	1	108.4670	1.134	2	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,5|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){3|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	107.7140	0.000	1	107.7140	0.000	1	108.4670	1.134	2	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	110.0000	0.000	1	110.0000	0.000	1	110.0349	0.089	8	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	109.8100	0.000	1	109.8100	0.000	1	110.0349	0.089	8	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	109.9670	0.000	1	109.9670	0.000	1	110.0349	0.089	8	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.6960	0.000	1	109.6960	0.000	1	110.0349	0.089	8	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.9110	0.000	1	109.9110	0.000	1	110.0349	0.089	8	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|N<3>,2|H<1>,4|C<3>}	109.9880	0.000	1	109.9880	0.000	1	110.0349	0.089	8	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.4535	0.292	2	110.4535	0.085	2	110.0349	0.089	8	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	108.6640	0.000	1	108.6640	0.000	1	109.0680	0.326	2	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH){1|C<4>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|N<3>,3|C<3>,3|H<1>}	109.4720	0.000	1	109.4720	0.000	1	109.0680	0.326	2	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,3|C<3>,3|H<1>}	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	109.6359	0.630	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	106.7940	0.000	1	106.7940	0.000	1	107.0570	0.061	3	107.0570	0.061	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	107.2860	0.000	1	107.2860	0.000	1	107.0570	0.061	3	107.0570	0.061	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH){1|C<3>,2|C<4>,2|H<1>}	107.0910	0.000	1	107.0910	0.000	1	107.0570	0.061	3	107.0570	0.061	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){2|C<4>,3|H<1>}	108.6830	0.000	1	108.8225	0.039	2	108.8225	0.039	2	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	108.9620	0.000	1	108.8225	0.039	2	108.8225	0.039	2	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H){1|O<1>,2|C<4>,2|H<1>}	109.2150	0.000	1	109.2150	0.000	1	109.2150	0.000	1	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H){3|C<3>,4|C<4>}	109.2565	0.517	2	109.2565	0.267	2	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[3x6]CC){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<3>,4|C<4>}	109.3470	0.000	1	109.3470	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,2|C<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	109.3300	0.157	2	109.3300	0.025	2	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH){2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.9140	0.000	1	109.9140	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	110.0130	0.000	1	110.0130	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	110.0030	0.000	1	109.9975	0.000	2	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	109.9920	0.000	1	109.9975	0.000	2	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	109.8380	0.000	1	109.8380	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.8095	0.832	2	107.8095	0.693	2	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.7490	0.000	1	109.7490	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.6635	0.504	2	109.6635	0.254	2	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.3600	0.000	1	109.3600	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	109.5400	0.000	1	109.5400	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.9500	0.000	1	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	110.2632	0.096	4	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	109.9580	0.000	1	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.7692	0.168	5	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.8220	0.021	2	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	110.4830	0.000	1	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	110.0310	0.000	1	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.4730	0.000	1	109.9649	0.083	16	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,5|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.7520	0.000	1	109.7520	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.2610	0.325	2	109.4680	0.181	3	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.8820	0.000	1	109.4680	0.181	3	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[5]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[5]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.8550	0.000	1	110.8550	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]CH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.0970	0.000	1	110.0970	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.4990	0.000	1	110.4990	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	109.7290	0.000	1	110.2482	0.095	6	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.1660	0.000	1	110.2482	0.095	6	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.4260	0.000	1	110.2482	0.095	6	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.3893	0.234	3	110.2482	0.095	6	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.7600	0.000	1	110.7600	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1590	0.279	2	110.2566	0.177	9	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	110.5228	0.271	4	110.2566	0.177	9	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	109.3540	0.000	1	110.2566	0.177	9	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.2840	0.000	1	110.2566	0.177	9	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.2620	0.000	1	110.2566	0.177	9	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.2640	0.000	1	110.2640	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	110.2480	0.000	1	110.2480	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	110.7080	0.000	1	110.7080	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	108.7940	0.000	1	108.7940	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]CC){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	111.2330	0.000	1	111.2330	0.000	1	109.9135	0.405	61	109.8685	0.430	64	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH){3|C<3>,4|C<4>}	107.8790	0.000	1	107.8790	0.000	1	107.8790	0.000	1	107.8790	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	108.3820	0.000	1	108.4060	0.001	2	108.3493	0.027	4	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	108.4300	0.000	1	108.4060	0.001	2	108.3493	0.027	4	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	108.4770	0.000	1	108.4770	0.000	1	108.3493	0.027	4	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,6|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	108.1080	0.000	1	108.1080	0.000	1	108.3493	0.027	4	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|H<1>,1|N<3>,3|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,2|C<3>,4|C<4>}	108.5480	0.857	2	108.5480	0.734	2	109.2081	0.690	8	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	109.5667	0.906	4	109.5667	0.820	4	109.2081	0.690	8	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	109.4990	0.000	1	109.4990	0.000	1	109.2081	0.690	8	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	108.8030	0.000	1	108.8030	0.000	1	109.2081	0.690	8	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,2|N<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,2|H<1>,6|C<3>}	109.3735	0.134	2	109.3735	0.018	2	109.3735	0.018	2	108.9864	0.557	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	107.4840	0.000	1	107.4840	0.000	1	108.7097	1.385	3	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH){2|C<4>,3|H<1>}	109.8310	0.000	1	109.8310	0.000	1	108.7097	1.385	3	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){2|C<4>,3|H<1>}	108.8140	0.000	1	108.8140	0.000	1	108.7097	1.385	3	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1140	0.000	1	110.1140	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){3|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	110.6305	0.159	2	110.6305	0.025	2	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){3|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	110.1050	0.000	1	110.1050	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	109.9640	0.000	1	109.9640	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	110.4900	0.000	1	110.4900	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	109.7800	0.000	1	109.7800	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	110.2010	0.000	1	110.1203	0.017	3	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	109.9690	0.000	1	110.1203	0.017	3	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	110.1910	0.000	1	110.1203	0.017	3	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.5140	0.000	1	109.5140	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.4590	0.000	1	109.4590	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.6990	0.000	1	109.6990	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	110.9280	0.849	2	110.9280	0.720	2	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.9560	0.000	1	110.9560	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3680	0.000	1	110.3680	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|I<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.0690	0.000	1	111.0690	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.8610	0.000	1	110.8610	0.000	1	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.1810	0.000	1	110.8945	0.164	2	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.6080	0.000	1	110.8945	0.164	2	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.5505	0.569	2	110.5505	0.324	2	110.3803	0.299	23	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[5])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]2Hf)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[5])(C[6]C[6]HH){1|Hf<12>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]2Hf){2|C<3>,4|C<4>,5|H<1>}	107.6520	0.000	1	107.6520	0.000	1	107.6520	0.000	1	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6,6]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	108.8490	0.000	1	108.8490	0.000	1	109.0419	0.099	9	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|S<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	109.3520	0.000	1	109.3520	0.000	1	109.0419	0.099	9	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	109.0080	0.000	1	109.0080	0.000	1	109.0419	0.099	9	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	108.5980	0.000	2	108.5980	0.000	2	109.0419	0.099	9	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.0480	0.000	1	109.0480	0.000	1	109.0419	0.099	9	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.1810	0.000	1	109.1810	0.000	1	109.0419	0.099	9	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]O[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.3715	0.153	2	109.3715	0.024	2	109.0419	0.099	9	109.8307	0.891	36	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	106.1230	0.000	1	106.1230	0.000	1	106.1230	0.000	1	106.1230	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:2:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,4|H<1>}	104.6160	0.000	1	104.6160	0.000	1	104.6160	0.000	1	104.6160	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	105.6770	0.000	1	105.6770	0.000	1	105.6770	0.000	1	105.6770	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|N<3>,2|C<4>,2|H<1>}	108.9220	0.000	1	108.9220	0.000	1	108.9220	0.000	1	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.9960	0.000	1	109.9960	0.000	1	109.9960	0.000	1	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	109.8490	0.000	1	109.8490	0.000	1	109.5550	0.342	8	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<4>,3|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.8490	0.000	1	109.8677	0.035	3	109.5550	0.342	8	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.8770	0.264	2	109.8677	0.035	3	109.5550	0.342	8	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	108.6710	0.102	2	108.6710	0.010	2	109.5550	0.342	8	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<3>,4|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.8230	0.479	2	109.8230	0.230	2	109.5550	0.342	8	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6]){1|C<4>,3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	110.1396	0.381	5	110.1396	0.145	5	110.1396	0.145	5	109.7371	0.342	15	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[3x6]CC){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6]){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH){3|C<3>,4|C<4>}	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){2|C<4>,3|H<1>,4|C<3>}	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	108.9540	0.150	2	108.9540	0.022	2	108.9540	0.022	2	109.6339	0.806	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[5,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[5,6]CH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6]){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	109.6339	0.806	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	109.4800	0.000	1	109.4800	0.000	1	110.2318	0.465	4	109.6339	0.806	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	109.9150	0.000	1	109.9150	0.000	1	110.2318	0.465	4	109.6339	0.806	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.7660	0.399	2	110.7660	0.159	2	110.2318	0.465	4	109.6339	0.806	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	4:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	105.3720	0.000	1	105.3720	0.000	1	105.4357	0.007	3	105.4357	0.007	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	4:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	105.4675	0.086	2	105.4675	0.007	2	105.4357	0.007	3	105.4357	0.007	3	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	110.4020	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){3|H<1>,4|C<4>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH){1|O<2>,3|H<1>,4|C<4>}	109.4320	0.000	1	109.4320	0.000	1	108.5075	1.709	2	108.2053	1.402	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH){2|H<1>,3|C<4>}	107.5830	0.000	1	107.5830	0.000	1	108.5075	1.709	2	108.2053	1.402	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	108.2053	1.402	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	108.2053	1.402	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:2:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3){1|C<4>,4|C<3>}	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	110.4682	0.181	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5,6]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5,6]N[5a]){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	110.4682	0.181	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.4440	0.000	1	110.4440	0.000	1	110.7610	0.201	2	110.4682	0.181	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.0780	0.000	1	111.0780	0.000	1	110.7610	0.201	2	110.4682	0.181	4	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|N<3>,2|H<1>,4|C<3>}	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){2|C<3>,2|H<1>,2|S<2>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	109.8600	0.000	1	109.8600	0.000	1	109.6140	0.048	3	109.5432	1.121	5	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,2|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	109.5450	0.000	1	109.5450	0.000	1	109.6140	0.048	3	109.5432	1.121	5	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	109.4370	0.000	1	109.4370	0.000	1	109.6140	0.048	3	109.5432	1.121	5	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	109.5432	1.121	5	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,4|C<3>}	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	109.5432	1.121	5	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[4,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	109.9710	0.000	1	110.0438	0.242	4	110.0438	0.242	4	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[4,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[4,6]C[4]2N[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.0680	0.600	3	110.0438	0.242	4	110.0438	0.242	4	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[5,6]HH)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[5,6]HH){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|C<4>,2|S<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	110.6650	0.000	1	110.6650	0.000	1	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]O[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	110.2580	0.000	1	110.2580	0.000	1	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.4400	0.000	1	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.0960	0.000	1	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.5450	0.000	1	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.4350	0.000	1	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	109.5980	0.000	1	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.0910	0.030	2	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.0260	0.000	1	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.0760	0.267	3	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,4|C<4>}	110.2180	0.000	1	110.0640	0.104	12	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.0183	0.178	3	110.3198	0.280	14	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.5080	0.000	1	110.3198	0.280	14	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3914	0.598	10	110.3198	0.280	14	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.6205	0.197	2	111.6205	0.039	2	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]O[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.3700	0.000	1	111.3700	0.000	1	110.3477	0.340	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]O[6]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	110.3935	0.511	2	110.3935	0.261	2	110.2883	0.164	3	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.0780	0.000	1	110.0780	0.000	1	110.2883	0.164	3	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,3|C<3>,3|C<4>}	110.1668	0.326	4	110.0866	0.112	5	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,2|C<3>,4|C<4>}	109.7660	0.000	1	110.0866	0.112	5	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.6330	0.000	1	110.6330	0.000	1	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.0000	0.000	1	110.0000	0.000	1	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.2405	0.203	2	109.8561	0.156	7	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	109.8363	0.204	4	109.8561	0.156	7	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	109.1670	0.000	1	109.8561	0.156	7	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3950	0.000	1	110.7500	0.252	2	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.1050	0.000	1	110.7500	0.252	2	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.6500	0.000	1	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.2660	0.000	1	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3885	0.213	2	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	110.2485	0.339	2	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.6615	0.052	2	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.7050	0.000	1	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1896	0.542	14	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.5070	0.900	4	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	110.7640	0.337	3	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.4350	0.000	1	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.8380	0.000	1	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.2640	0.387	2	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1097	0.311	3	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.5220	0.000	1	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.0727	0.755	3	110.2454	0.293	41	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	110.5750	0.000	1	110.5750	0.000	1	110.2103	0.269	58	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.4880	0.000	1	110.4880	0.000	1	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.4820	0.000	1	110.4820	0.000	1	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	109.2130	0.109	2	109.2130	0.012	2	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.7070	0.000	1	110.0698	0.161	5	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.7440	0.000	1	110.0698	0.161	5	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.0910	0.064	2	110.0698	0.161	5	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.7160	0.000	1	110.0698	0.161	5	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.2850	0.000	1	110.2760	0.000	2	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.2670	0.000	1	110.2760	0.000	2	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.3910	0.007	2	110.2151	0.223	10	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.0370	0.000	1	110.2151	0.223	10	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1065	0.347	2	110.2151	0.223	10	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	110.9270	0.000	1	110.2151	0.223	10	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.1910	0.000	1	110.2151	0.223	10	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1870	0.204	2	110.2151	0.223	10	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	110.6270	0.000	1	110.2151	0.223	10	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<3>,5|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.8420	0.047	4	109.9356	0.045	5	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<2>,5|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	110.3100	0.000	1	109.9356	0.045	5	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.3850	0.000	1	109.3850	0.000	1	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[5,6]C[6a]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[5,6]C[6a]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.5200	0.000	1	110.5200	0.000	1	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.8460	0.228	3	110.8460	0.052	3	110.1474	0.248	31	110.2314	0.275	129	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.7400	0.000	1	109.4038	0.115	5	109.4038	0.115	5	109.3867	0.094	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.1630	0.000	1	109.4038	0.115	5	109.4038	0.115	5	109.3867	0.094	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.3265	0.523	2	109.4038	0.115	5	109.4038	0.115	5	109.3867	0.094	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.4630	0.000	1	109.4038	0.115	5	109.4038	0.115	5	109.3867	0.094	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO){2|C<4>,2|H<1>,3|C<3>}	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	109.3867	0.094	6	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[3,6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[3,6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|C<5>,1|H<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[3,6]C[3,6]H[3]N){2|C<3>,2|C<4>,2|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	109.6350	0.000	1	109.6350	0.000	1	109.6350	0.000	1	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[5,6]C[6,6]S[5]2)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|S<2>,3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	108.7005	0.579	2	108.7005	0.335	2	108.7005	0.335	2	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3600	0.000	1	110.3600	0.000	1	109.7523	0.277	3	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	109.4485	0.005	2	109.4485	0.000	2	109.7523	0.277	3	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	109.8450	0.000	1	109.8450	0.000	1	109.8450	0.000	1	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CC){2|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	110.6020	0.000	1	110.6020	0.000	1	110.0406	0.647	15	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){2|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){2|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<3>,4|C<4>}	108.9870	0.000	1	108.9870	0.000	1	110.0406	0.647	15	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH){2|C<3>,2|H<1>,3|C<4>}	109.4165	0.765	4	109.4165	0.584	4	110.0406	0.647	15	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.3370	0.000	1	109.3370	0.000	1	110.0406	0.647	15	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3642	0.623	5	110.4433	0.322	7	110.0406	0.647	15	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.6410	0.520	2	110.4433	0.322	7	110.0406	0.647	15	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	110.9140	0.000	1	110.9140	0.000	1	110.0406	0.647	15	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	109.4770	0.000	1	109.4770	0.000	1	109.3785	0.148	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.1420	0.000	1	109.3457	0.216	3	109.3785	0.148	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.8770	0.000	1	109.3457	0.216	3	109.3785	0.148	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.0180	0.000	1	109.3457	0.216	3	109.3785	0.148	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	110.5260	0.000	1	110.5260	0.000	1	110.3713	0.029	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.4930	0.000	1	110.3990	0.018	2	110.3713	0.029	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.3050	0.000	1	110.3990	0.018	2	110.3713	0.029	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.1610	0.000	1	110.1610	0.000	1	110.3713	0.029	4	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	109.8262	0.556	31	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:4:3:	3:2:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H){2|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){3|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	107.6244	0.983	14	107.6244	0.966	14	107.6244	0.966	14	107.6244	0.966	14	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:4:3:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[5a,6]C[6]2)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[5a,6]C[6]2)(N[5a]C[5a,6a]H){4|C<3>,4|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a]){1|N<3>,3|C<3>,4|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,3|C<3>,3|C<4>}	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	108.4820	1.726	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:4:3:	3:3:1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]PdH)(N[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]PdH)(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]PdH)(N[5a]C[5a]H){1|Pd<5>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]PdH)(C[5a]C[5a]H){1|Pd<5>,1|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|Pd<5>,2|C<4>,2|H<1>}	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	108.4820	1.726	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:4:3:	3:3:3:	C[5a,6]-3:C[3,6]-4:N[5a]-3:	C[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C)	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO)	C[5a,6](C[5a,6]C[3,6]C[5a])(C[3,6]C[3,6]C[3]H)(N[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[3,6]C[3,6]C[3]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO){1|H<1>,4|C<4>}	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	107.6170	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	4:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[6,6]C[6,6]S[6]H)(N[5a]C[5a,6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[6,6]C[6,6]S[6]H)(N[5a]C[5a,6a]H){1|N<3>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|N<3>,1|O<1>,1|S<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	4:3:3:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]HO)(N[5a]C[5a]S)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]HO)(N[5a]C[5a]S){1|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(SC[6a]OO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:3:	3:3:1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:3:	3:3:4:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|O<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){2|C<4>,6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,6|C<3>}	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.4800	0.438	2	110.4280	0.104	3	110.3872	0.076	4	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3240	0.000	1	110.4280	0.104	3	110.3872	0.076	4	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.2650	0.000	1	110.2650	0.000	1	110.3872	0.076	4	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.9940	0.000	1	110.9940	0.000	1	110.4975	0.493	2	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	110.0010	0.000	1	110.0010	0.000	1	110.4975	0.493	2	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.8520	0.000	1	110.8520	0.000	1	110.5680	0.161	2	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,3|C<4>}	110.2840	0.000	1	110.2840	0.000	1	110.5680	0.161	2	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	111.2760	0.000	1	110.8255	0.406	2	110.8255	0.406	2	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	110.3750	0.000	1	110.8255	0.406	2	110.8255	0.406	2	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1620	0.000	1	110.1620	0.000	1	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1270	0.000	1	110.5487	0.143	3	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.7595	0.139	2	110.5487	0.143	3	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.8450	0.000	1	109.8450	0.000	1	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.7860	0.000	1	109.7860	0.000	1	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	110.3070	0.000	1	109.9020	0.328	2	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.4970	0.000	1	109.9020	0.328	2	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	110.5780	0.000	1	110.5780	0.000	1	110.2023	0.200	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[5,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[5,6]HH){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){2|C<3>,2|H<1>,3|C<4>}	110.3030	0.000	1	110.3030	0.000	1	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[5,6]N[6,6]Cl)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[5,6]N[6,6]Cl)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	110.8890	0.000	1	110.8890	0.000	1	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[5,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[5,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.0690	0.000	1	110.0690	0.000	1	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.7240	0.034	2	109.7240	0.001	2	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	109.0280	0.000	1	109.0280	0.000	1	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.9040	0.000	1	109.9040	0.000	1	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){4|C<3>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){1|N<3>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.0100	0.000	1	110.0100	0.000	1	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1020	0.000	1	110.1020	0.000	1	109.9726	0.250	9	110.2466	0.247	28	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.3330	0.000	1	110.4570	0.092	3	110.4570	0.092	3	110.2169	0.107	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.5190	0.402	2	110.4570	0.092	3	110.4570	0.092	3	110.2169	0.107	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]H){4|C<3>,4|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	110.2169	0.107	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){2|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	110.3310	0.000	1	110.3310	0.000	1	109.9933	0.053	4	110.2169	0.107	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	109.8807	0.057	3	109.8807	0.003	3	109.9933	0.053	4	110.2169	0.107	8	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:4:2:	3:2:4:	C[3,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C){1|C<4>,1|O<2>,5|H<1>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<4>}	104.2470	0.000	1	104.2470	0.000	1	104.2470	0.000	1	104.2470	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:4:2:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	105.7710	0.000	1	105.8975	0.032	2	105.9410	0.134	4	105.4626	0.457	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:4:2:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	106.0240	0.000	1	105.8975	0.032	2	105.9410	0.134	4	105.4626	0.457	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:4:2:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3){1|C<3>,1|H<1>,2|C<4>}	105.5580	0.000	1	105.5580	0.000	1	105.9410	0.134	4	105.4626	0.457	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:4:2:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	106.4110	0.000	1	106.4110	0.000	1	105.9410	0.134	4	105.4626	0.457	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:4:2:	3:3:4:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[6]C[5,6]C[5a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO)	C[5a,6](C[6]C[5,6]C[5a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO){1|C<3>,1|H<1>,2|C<4>}	105.1870	0.000	1	105.1870	0.000	1	104.8247	0.101	3	105.4626	0.457	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:4:2:	3:3:4:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO)	C[5a,6](C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO){1|C<3>,1|H<1>,2|C<4>}	104.6435	0.077	2	104.6435	0.006	2	104.8247	0.101	3	105.4626	0.457	7	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	4:3:3:	3:2:4:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C){1|C<3>,4|C<4>,4|H<1>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]N[5a])(C[5a]N[5a]H){1|C<3>,3|H<1>,5|C<4>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3){2|H<1>,3|C<4>}	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	4:3:3:	3:3:1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[6,6]C[6,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.9490	0.511	2	109.9490	0.261	2	109.9490	0.261	2	109.9490	0.261	2	108.8338	3.565	1023	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5,5a,6]	3:3:2:	3:3:3:	6:3:3:	N[5,5a,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5a,6a]C[5,5a])(C[5a,6]C[5a,6a]N[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<6>,3|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5a,6a]C[5,5a])(C[5a,6]C[5a,6a]N[6]){8|C<3>}	107.1105	0.303	2	107.1105	0.092	2	107.1105	0.092	2	107.1105	0.092	2	107.1105	0.092	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,3|H<1>}	103.4930	0.000	1	103.4141	0.558	10	103.2907	0.502	13	103.2907	0.502	13	103.2907	0.502	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	103.3045	0.973	6	103.4141	0.558	10	103.2907	0.502	13	103.2907	0.502	13	103.2907	0.502	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	103.6070	0.226	3	103.4141	0.558	10	103.2907	0.502	13	103.2907	0.502	13	103.2907	0.502	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6]){2|H<1>,4|C<3>}	103.3460	0.000	1	103.3460	0.000	1	103.2907	0.502	13	103.2907	0.502	13	103.2907	0.502	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|H<1>}	102.7330	0.000	1	102.6460	0.015	2	103.2907	0.502	13	103.2907	0.502	13	103.2907	0.502	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,4|C<3>}	102.5590	0.000	1	102.6460	0.015	2	103.2907	0.502	13	103.2907	0.502	13	103.2907	0.502	13	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:2:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]N[6a])(N[6]C[5a,6]){1|O<2>,2|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]N[6a])(N[6a]C[6a,6a]){1|B<4>,1|N<2>,3|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){2|N<2>,4|C<3>}	104.2500	0.000	1	104.2500	0.000	1	104.2500	0.000	1	104.2500	0.000	1	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](C[5a,6a]C[5a,6a]C[6,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6,6a])(C[5a,6]N[5a,6,6]N[6])(C[6,6a]C[6,6a]O[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.8305	0.026	2	105.8305	0.001	2	105.8305	0.001	2	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,2|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.1608	0.245	4	105.1608	0.060	4	105.1608	0.060	4	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6,6]-3:N[6]-2:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6,6]C[5a,6]B[3x6])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a]){1|B<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.8990	0.616	6	105.8990	0.380	6	105.8990	0.380	6	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|B<4>,1|N<2>,2|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	105.4500	0.362	3	105.4500	0.131	3	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]Cl){2|Cl<1>,1|B<4>,1|N<2>,2|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	104.8612	0.365	12	104.8612	0.133	12	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	105.2727	0.347	6	105.2727	0.120	6	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	105.2837	0.255	6	105.2837	0.065	6	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,2|F<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F){6|C<3>}	105.5919	0.272	15	105.5919	0.074	15	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.2245	0.583	41	105.2245	0.340	41	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Br<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Br){6|C<3>}	105.3397	0.402	3	105.3397	0.162	3	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2C){6|C<3>}	105.7103	0.217	24	105.7103	0.047	24	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	105.4789	0.263	18	105.3940	0.090	42	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	105.2618	0.304	18	105.3940	0.090	42	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	105.5358	0.278	6	105.3940	0.090	42	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2F){6|C<3>}	105.5127	0.117	3	105.5127	0.014	3	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	106.1735	0.146	2	105.6604	0.177	321	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.6536	0.417	313	105.6604	0.177	321	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.8462	0.533	6	105.6604	0.177	321	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2S){6|C<3>}	105.3405	0.322	6	105.3405	0.104	6	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|N<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|B<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2Cl){6|C<3>}	105.3760	0.305	2	105.3760	0.093	2	105.5621	0.200	484	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:Ge[4x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(Ge[4x6]N[5a,6,6]3)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(Ge[4x6]N[5a,6,6]3){8|C<3>}	108.1933	1.642	4	108.1933	2.695	4	108.1933	2.695	4	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|O<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]N[6])2(B[3x6]N[5a,6,6]2O){6|C<3>}	105.6177	0.528	6	105.6177	0.279	6	105.6177	0.279	6	105.5854	0.271	506	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5,6]){1|Cl<1>,1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	106.0850	0.226	2	106.0850	0.051	2	105.7238	0.179	28	105.7238	0.179	28	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F)	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Cl<1>,1|F<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a,6,6](B[3x6]N[5a,6,6]N[5,6,6]Cl)(C[5a,6]C[5a,6a]N[6])2{6|C<3>}	104.8695	0.172	2	104.8695	0.030	2	105.7238	0.179	28	105.7238	0.179	28	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[5])(C[5a,6]C[5a,6a]N[6])2{1|Fe<10>,2|C<4>,6|C<3>}	105.6430	0.231	12	105.6430	0.053	12	105.7238	0.179	28	105.7238	0.179	28	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](B[3x6]N[5a,6,6]2N[5])(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	105.8868	0.430	12	105.8868	0.185	12	105.7238	0.179	28	105.7238	0.179	28	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	In[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](In[4x6]N[5a,6,6]3Fe)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Fe<8>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|In<5>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](In[4x6]N[5a,6,6]3Fe)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	108.8065	0.023	2	108.8065	0.001	2	108.8065	0.001	2	108.8065	0.001	2	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	108.8265	0.217	4	108.8265	0.047	4	108.4566	0.251	14	109.6549	0.453	128	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3II)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	108.2950	0.662	6	108.2950	0.439	6	108.4566	0.251	14	109.6549	0.453	128	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	Ge[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,3|C<3>,5|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6]2)(C[5a,6]C[5a,6a]N[6])2{12|C<3>}	108.3293	0.233	4	108.3293	0.054	4	108.4566	0.251	14	109.6549	0.453	128	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|P<6>,2|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	108.1603	1.424	4	108.1603	2.028	4	108.1603	2.028	4	109.6549	0.453	128	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](Si[4x6]N[5a,6,6]3Cl2)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	109.9917	0.204	4	109.9917	0.041	4	109.8617	0.132	110	109.6549	0.453	128	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|O<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	109.8593	0.371	102	109.8593	0.138	102	109.8617	0.132	110	109.6549	0.453	128	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<2>,1|S<2>,2|O<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|Si<6>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	109.7945	0.284	4	109.7945	0.081	4	109.8617	0.132	110	109.6549	0.453	128	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	105.6414	1.267	7	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,2|N<3>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O){8|C<3>}	105.0078	0.144	5	105.0078	0.021	5	105.0078	0.021	5	105.6414	1.267	7	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	105.6414	1.267	7	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	106.9760	0.963	2	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.9760	0.963	2	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	106.6710	1.122	2	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	106.6710	1.122	2	106.3772	2.866	676	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	106.2230	0.000	1	106.0627	0.109	3	106.1490	0.102	4	106.1490	0.102	4	106.1490	0.102	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	106.2820	0.000	1	106.0627	0.109	3	106.1490	0.102	4	106.1490	0.102	4	106.1490	0.102	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	105.6830	0.000	1	106.0627	0.109	3	106.1490	0.102	4	106.1490	0.102	4	106.1490	0.102	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6]){2|H<1>,6|C<3>}	106.4080	0.000	1	106.4080	0.000	1	106.1490	0.102	4	106.1490	0.102	4	106.1490	0.102	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|C<2>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	107.7425	0.252	2	107.7425	0.064	2	108.3668	0.130	10	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	108.6250	0.037	2	108.6250	0.001	2	108.3668	0.130	10	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	108.4295	0.110	2	108.4295	0.012	2	108.3668	0.130	10	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	108.5445	0.159	2	108.5445	0.025	2	108.3668	0.130	10	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	108.4925	0.231	2	108.4925	0.053	2	108.3668	0.130	10	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	109.0430	0.268	3	109.0430	0.072	3	108.7774	0.168	5	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	108.3790	0.027	2	108.3790	0.001	2	108.7774	0.168	5	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6])	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a]B[6])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]N[6]){1|B<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.4967	0.161	16	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N){4|C<3>}	104.8300	0.000	1	104.8300	0.000	1	104.8300	0.000	1	104.7010	0.033	2	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	104.5720	0.000	1	104.5720	0.000	1	104.5720	0.000	1	104.7010	0.033	2	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	105.5030	0.051	2	105.5030	0.003	2	105.5030	0.003	2	105.5030	0.003	2	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:N[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,6|C<3>}	105.8400	0.000	1	105.8400	0.000	1	105.8400	0.000	1	105.8400	0.000	1	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|B<4>,1|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	106.1520	0.000	1	106.1520	0.000	1	107.4460	0.531	5	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	107.7695	0.100	4	107.7695	0.010	4	107.4460	0.531	5	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|B<4>,1|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	106.9825	0.039	2	106.9825	0.002	2	106.9825	0.002	2	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	107.1990	0.754	2	107.1990	0.568	2	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	107.9835	0.303	2	107.9835	0.092	2	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>,3|F<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	106.8550	0.000	1	106.8550	0.000	1	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){2|N<3>,3|C<3>,3|F<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	106.4190	0.000	1	106.4190	0.000	1	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	107.7073	0.145	6	107.6854	0.021	7	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	107.5540	0.000	1	107.6854	0.021	7	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	108.1790	0.051	2	108.1790	0.003	2	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.2463	0.531	10	108.2463	0.282	10	107.8503	0.384	25	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	108.7480	0.000	1	108.7480	0.000	1	108.6517	0.009	3	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	108.6035	0.066	2	108.6035	0.004	2	108.6517	0.009	3	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a]){1|H<1>,2|O<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO){1|H<1>,6|C<3>}	105.8010	0.000	1	105.8010	0.000	1	105.8010	0.000	1	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	108.7710	0.133	3	108.7710	0.018	3	108.7710	0.018	3	107.8339	0.589	39	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	105.9040	0.000	1	105.9040	0.000	1	106.0932	0.022	4	106.0932	0.022	4	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	106.1195	0.103	2	106.1195	0.011	2	106.0932	0.022	4	106.0932	0.022	4	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a]){1|O<1>,6|C<3>}	106.2300	0.000	1	106.2300	0.000	1	106.0932	0.022	4	106.0932	0.022	4	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H)	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H){1|B<3>,2|H<1>,6|C<3>}	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6,6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	105.3700	0.000	1	105.3700	0.000	1	105.3700	0.000	1	105.5016	0.079	5	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	105.5090	0.000	1	105.4890	0.135	3	105.5345	0.098	4	105.5016	0.079	5	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	105.4790	0.519	2	105.4890	0.135	3	105.5345	0.098	4	105.5016	0.079	5	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:4:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,3|H<1>,4|C<3>}	105.6710	0.000	1	105.6710	0.000	1	105.5345	0.098	4	105.5016	0.079	5	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:N[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,2|N<3>,6|C<3>}	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	N[5a,6]	3:4:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6]-4:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a])	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	106.3680	0.000	1	107.5386	1.527	75	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C[6])(H)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C[6])(H){1|Ga<4>,5|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	107.3533	0.292	4	107.3533	0.085	4	107.2473	0.499	18	107.4128	0.567	22	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	107.6790	0.100	2	107.6790	0.010	2	107.2473	0.499	18	107.4128	0.567	22	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	107.0830	0.057	2	107.0830	0.003	2	107.2473	0.499	18	107.4128	0.567	22	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	107.1515	0.922	10	107.1515	0.849	10	107.2473	0.499	18	107.4128	0.567	22	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<5>,3|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	107.8330	0.000	1	107.8330	0.000	1	108.1575	0.242	4	107.4128	0.567	22	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<5>,3|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	108.2657	0.541	3	108.2657	0.293	3	108.1575	0.242	4	107.4128	0.567	22	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	6:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<6>,3|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	107.8250	0.147	2	107.8250	0.022	2	107.4319	0.101	7	107.4319	0.101	7	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:1:	6:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<6>,3|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	107.2746	0.195	5	107.2746	0.038	5	107.4319	0.101	7	107.4319	0.101	7	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-3:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	106.4430	0.000	1	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6]){1|H<1>,3|N<3>,6|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2){1|Ga<4>,2|N<3>,5|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	106.4140	0.000	1	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(NOO)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(NOO){1|Ge<5>,3|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	104.8072	0.211	4	104.8072	0.045	4	104.8072	0.045	4	104.8072	0.045	4	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:4:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3){1|Ga<5>,3|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|C<4>,7|C<3>}	106.4690	0.000	1	106.4690	0.000	1	106.4225	0.004	2	106.4225	0.004	2	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5,5a,6]	3:3:3:	3:3:4:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3){1|Ga<5>,3|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|C<4>,1|H<1>,7|C<3>}	106.3760	0.000	1	106.3760	0.000	1	106.4225	0.004	2	106.4225	0.004	2	107.0307	1.034	38	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(H){1|H<1>,3|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|H<1>}	102.6840	0.000	1	102.6840	0.000	1	102.6840	0.000	1	102.6840	0.000	1	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H){1|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,4|C<3>}	101.9770	0.000	1	101.9770	0.000	1	101.9770	0.000	1	101.9770	0.000	1	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|C<3>,4|H<1>}	104.3320	0.000	1	104.6670	0.224	2	104.6670	0.224	2	107.3767	22.139	3	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|H<1>,4|C<3>}	105.0020	0.000	1	104.6670	0.224	2	104.6670	0.224	2	107.3767	22.139	3	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:Se[5a,5a]-3:	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(Se[5a,5a]N[5a]2)	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(Se[5a,5a]N[5a]2){3|C<3>,4|H<1>}	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	107.3767	22.139	3	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2){1|H<1>,3|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,3|H<1>}	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(CHO)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(CHO){1|H<1>,5|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|H<1>,4|C<3>}	105.9030	0.000	1	105.9030	0.000	1	104.9020	2.004	2	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(COO)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(COO){1|H<1>,3|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|C<3>,4|H<1>}	103.9010	0.000	1	103.9010	0.000	1	104.9020	2.004	2	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a])	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,7|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.5050	0.000	1	104.5050	0.000	1	104.5050	0.000	1	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6])	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6]){1|B<4>,2|H<1>,7|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.7065	1.363	2	104.7065	1.857	2	104.7065	1.857	2	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2){1|B<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	105.2400	0.000	1	105.2400	0.000	1	104.7580	0.231	4	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2){1|B<3>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.8700	0.000	1	104.8700	0.000	1	104.7580	0.231	4	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	104.0930	0.000	1	104.0930	0.000	1	104.7580	0.231	4	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|B<3>,2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	104.8290	0.000	1	104.8290	0.000	1	104.7580	0.231	4	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){1|C<4>,1|H<1>,4|C<3>}	103.0940	0.000	1	103.0940	0.000	1	103.3120	0.095	2	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){2|H<1>,4|C<3>}	103.5300	0.000	1	103.5300	0.000	1	103.3120	0.095	2	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	104.3725	0.015	2	104.3725	0.000	2	104.3725	0.000	2	104.5516	0.719	14	104.7638	4.824	19	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:2:	3:3:3:	3:4:3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	107.3560	0.000	1	107.3560	0.000	1	107.3560	0.000	1	107.3560	0.000	1	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:2:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCH){1|B<4>,1|C<3>,1|N<2>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{1|C<4>,5|C<3>}	107.3600	0.000	1	107.3600	0.000	1	107.3600	0.000	1	107.0247	0.082	6	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:2:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<2>,1|O<2>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,5|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{6|C<3>}	106.9576	0.261	5	106.9576	0.068	5	106.9576	0.068	5	107.0247	0.082	6	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:2:	3:3:4:	4:3:3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C-4:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,1|C<3>,1|N<2>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{2|C<4>,4|C<3>}	106.9669	0.441	10	106.9531	0.177	11	106.9531	0.177	11	106.9531	0.177	11	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:2:	3:3:4:	4:3:3:	N[5a,6,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C-4:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a]C[5a]C)(N[6]C[5a,6]){1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[5a](C[5a,6]N[5a,6,6]N[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,1|C<3>,1|N<2>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]N[6])2{1|C<4>,5|C<3>}	106.8150	0.000	1	106.9531	0.177	11	106.9531	0.177	11	106.9531	0.177	11	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6,6a]-3:C[5a,6]-3:N[5a,6]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]N[5a,6]H)(H)	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]N[5a,6]H)(H){1|C<4>,3|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	103.6852	2.452	5	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[6,6,6a]N[5a,6,6a]2)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<3>,3|C<3>}	N[5a,6,6](B[6,6,6a]N[5a,6,6a]2)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	102.9857	0.088	4	102.9857	0.008	4	102.9857	0.008	4	103.6852	2.452	5	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[5a,6])(C[5a]C[5a,6]C[6a])(H)	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[5a,6])(C[5a]C[5a,6]C[6a])(H){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	108.3571	0.525	8	108.3571	0.276	8	108.3571	0.276	8	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	105.8808	0.332	6	105.8808	0.110	6	105.5810	0.248	104	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	105.5505	0.261	6	105.5505	0.068	6	105.5810	0.248	104	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	105.6338	0.329	6	105.6338	0.108	6	105.5810	0.248	104	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	105.2883	0.462	12	105.2883	0.214	12	105.5810	0.248	104	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	105.4211	0.403	18	105.4211	0.162	18	105.5810	0.248	104	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	105.5222	0.426	48	105.5222	0.181	48	105.5810	0.248	104	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	106.4910	0.479	8	106.4910	0.230	8	105.5810	0.248	104	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[5,3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<4>,3|C<3>}	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	107.0757	0.070	4	107.0757	0.005	4	107.0757	0.005	4	105.8240	0.793	116	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	109.5610	0.041	2	109.5610	0.002	2	109.5610	0.002	2	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	109.4025	0.258	2	109.4025	0.067	2	109.0808	0.234	6	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	108.9200	0.514	4	108.9200	0.264	4	109.0808	0.234	6	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	109.4695	0.088	2	109.4695	0.008	2	109.5687	0.310	4	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	109.6680	0.939	2	109.6680	0.882	2	109.5687	0.310	4	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	108.1845	0.009	2	108.1845	0.000	2	108.1845	0.000	2	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|P<4>,2|H<1>,7|C<3>}	109.0410	0.040	2	109.6991	0.258	11	109.4845	0.380	15	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	110.0501	0.169	7	109.6991	0.258	11	109.4845	0.380	15	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{3|H<1>,7|C<3>}	109.1285	0.170	2	109.6991	0.258	11	109.4845	0.380	15	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,1|H<1>,2|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{3|H<1>,7|C<3>}	109.3345	0.197	2	109.3345	0.039	2	109.4845	0.380	15	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,1|P<4>,2|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|P<4>,2|H<1>,7|C<3>}	108.4545	0.155	2	108.4545	0.024	2	109.4845	0.380	15	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	107.8715	1.333	4	107.8715	1.777	4	107.8715	1.777	4	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	108.0325	0.054	2	108.0325	0.003	2	107.7385	0.255	6	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	107.5915	0.581	4	107.5915	0.337	4	107.7385	0.255	6	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>,4|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	107.9906	0.522	8	107.9906	0.273	8	107.9906	0.273	8	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	108.2395	0.676	8	108.2395	0.457	8	107.9383	0.528	44	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	108.0302	0.519	4	108.0302	0.269	4	107.9383	0.528	44	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	107.9020	0.703	4	107.9020	0.495	4	107.9383	0.528	44	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	107.8442	0.774	28	107.8442	0.599	28	107.9383	0.528	44	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	In[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](In[4x6]N[5a,6,6]3C[5])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|In<5>,1|C<4>,2|C<3>}	N[5a,6,6](In[4x6]N[5a,6,6]3C[5])(C[5a,6]C[5a]C[6])2{1|Fe<10>,2|H<1>,4|C<4>,6|C<3>}	108.5077	0.580	7	108.5077	0.336	7	108.5077	0.336	7	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<5>,3|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	108.3480	0.000	1	108.3480	0.000	1	109.4119	0.689	8	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<5>,3|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	109.5639	0.767	7	109.5639	0.588	7	109.4119	0.689	8	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	108.1395	0.138	2	108.1395	0.019	2	108.2160	0.088	4	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,3|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	108.2925	0.470	2	108.2925	0.221	2	108.2160	0.088	4	108.4487	0.890	110	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<6>,3|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	109.7164	0.220	7	109.6185	0.053	11	109.6185	0.053	11	108.9139	0.583	29	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ga[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<6>,3|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	109.4472	0.136	4	109.6185	0.053	11	109.6185	0.053	11	108.9139	0.583	29	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]FF)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]FF)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	108.9237	0.596	4	108.9237	0.355	4	108.4546	0.414	14	108.9139	0.583	29	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	108.2669	0.585	10	108.2669	0.342	10	108.4546	0.414	14	108.9139	0.583	29	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:1:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Si<6>,3|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	108.5837	0.724	4	108.5837	0.525	4	108.5837	0.525	4	108.9139	0.583	29	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	105.6960	0.000	1	105.6960	0.000	1	106.0295	0.222	2	106.0295	0.222	2	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	106.3630	0.000	1	106.3630	0.000	1	106.0295	0.222	2	106.0295	0.222	2	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCH)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCH){1|Ga<5>,1|H<1>,2|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|C<4>,2|H<1>,7|C<3>}	109.4510	0.263	2	109.4510	0.069	2	109.4510	0.069	2	109.4510	0.069	2	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|C<4>,6|C<3>}	105.4390	0.186	5	105.4390	0.034	5	105.4390	0.034	5	105.4390	0.034	5	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|Ga<5>,1|H<1>,2|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	110.3035	0.496	2	110.3035	0.246	2	110.1252	0.108	6	109.2839	0.720	21	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	109.8520	0.235	2	110.0360	0.066	4	110.1252	0.108	6	109.2839	0.720	21	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|C<4>,2|H<1>,7|C<3>}	110.2200	0.091	2	110.0360	0.066	4	110.1252	0.108	6	109.2839	0.720	21	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	In[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	N[5a,6,6](In[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|In<5>,1|H<1>,2|C<3>}	N[5a,6,6](In[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	108.9474	0.752	15	108.9474	0.565	15	108.9474	0.565	15	109.2839	0.720	21	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	109.7904	0.559	8	109.7904	0.313	8	109.6202	0.313	16	109.6202	0.313	16	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6]	3:3:3:	3:3:4:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	109.4501	0.541	8	109.4501	0.292	8	109.6202	0.313	16	109.6202	0.313	16	107.4569	2.990	325	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6,6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H)	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H){1|B<3>,3|C<3>}	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	103.3130	0.109	4	103.3130	0.012	4	103.3130	0.012	4	104.6958	9.570	5	105.4617	5.057	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H){4|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	104.6958	9.570	5	105.4617	5.057	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	103.7190	0.000	1	103.7190	0.000	1	103.7190	0.000	1	106.1000	1.383	6	105.4617	5.057	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	106.4780	0.000	1	106.4780	0.000	1	106.4780	0.000	1	106.1000	1.383	6	105.4617	5.057	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	106.5910	0.000	1	106.5910	0.000	1	106.6008	0.033	4	106.1000	1.383	6	105.4617	5.057	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	106.4170	0.000	1	106.6040	0.050	3	106.6008	0.033	4	106.1000	1.383	6	105.4617	5.057	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	106.6975	0.218	2	106.6040	0.050	3	106.6008	0.033	4	106.1000	1.383	6	105.4617	5.057	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:2:3:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,3|C<4>}	103.5450	0.000	1	103.4275	0.028	2	103.4275	0.028	2	103.4275	0.028	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:2:3:	3:2:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>}	103.3100	0.000	1	103.4275	0.028	2	103.4275	0.028	2	103.4275	0.028	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:2:3:	3:3:2:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	103.1730	0.000	1	103.1730	0.000	1	103.3117	0.097	3	103.3117	0.097	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:2:3:	3:3:2:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO)	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]N[5a])(COO){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	103.3810	0.406	2	103.3810	0.165	2	103.3117	0.097	3	103.3117	0.097	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:N[5a]-2:C-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6])	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])(COO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(S[6]C[6]){1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]S[6])(N[5a]C[5a])(COO){1|H<1>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H){1|H<1>,4|C<3>}	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	105.7610	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:2:3:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6])	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]){1|N<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){1|H<1>,2|C<4>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	105.9800	0.009	4	105.9800	0.000	4	105.9800	0.000	4	105.9800	0.000	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:2:3:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(H)	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(H){1|C<3>,1|S<4>}	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	108.9800	0.206	2	108.9800	0.043	2	108.9800	0.043	2	108.9800	0.043	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:3:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]C[6a]N[5a])(H)	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6]){1|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]C[6a]N[5a])(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	106.5450	0.000	1	106.5450	0.000	1	106.5450	0.000	1	106.5450	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]O[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]O[6])(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:2:	3:3:3:	N[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6])	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(S[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	106.3040	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	109.2150	0.000	1	109.2150	0.000	1	109.5170	0.182	2	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	109.8190	0.000	1	109.8190	0.000	1	109.5170	0.182	2	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	109.7750	0.000	1	109.7750	0.000	1	109.3983	0.233	23	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	110.0220	0.000	1	110.0220	0.000	1	109.3983	0.233	23	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Br<1>,1|B<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	108.8400	0.000	1	108.8400	0.000	1	109.3983	0.233	23	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	108.9930	0.177	2	109.4602	0.191	6	109.3983	0.233	23	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	109.6937	0.300	4	109.4602	0.191	6	109.3983	0.233	23	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	110.4970	0.000	1	109.3403	0.250	14	109.3983	0.233	23	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	109.2513	0.388	13	109.3403	0.250	14	109.3983	0.233	23	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	110.5905	0.023	2	110.5905	0.001	2	110.1660	0.281	4	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C[6a])(N[6]C[6,6]){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	109.7415	0.350	2	109.7415	0.123	2	110.1660	0.281	4	109.5124	0.291	29	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[3x6]){1|O<2>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O){2|C<4>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	108.2140	0.000	1	108.2140	0.000	1	108.0850	0.013	3	108.0850	0.013	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CCO)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CCO){2|C<4>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a]){1|C<4>,2|H<1>,6|C<3>}	108.0120	0.000	1	108.0120	0.000	1	108.0850	0.013	3	108.0850	0.013	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O){2|C<4>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	108.0290	0.000	1	108.0290	0.000	1	108.0850	0.013	3	108.0850	0.013	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	108.6912	0.270	4	108.6912	0.073	4	108.6912	0.073	4	108.6912	0.073	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6])	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[5a]C[5a]C[6a])(N[6]C[5a,6]){1|F<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:2:	3:3:4:	3:4:2:	N[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:S[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6])	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CH3){1|C<3>,1|S<4>}	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a]){1|C<3>,2|C<4>}	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	109.3820	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:2:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a])(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]N[5a])(H){3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|H<1>,3|C<3>}	103.2860	0.000	1	103.2860	0.000	1	103.2860	0.000	1	103.2860	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:3:2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C){2|C<3>,2|O<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|S<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H)	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H){2|C<3>,2|H<1>}	104.0970	0.000	1	104.0970	0.000	1	104.0970	0.000	1	104.8650	1.180	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H){2|H<1>,4|C<3>}	105.6330	0.000	1	105.6330	0.000	1	105.6330	0.000	1	104.8650	1.180	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	104.5760	0.000	1	104.5760	0.000	1	104.5760	0.000	1	104.5760	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:2:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN){2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	105.4650	0.000	1	105.2960	0.049	6	105.2960	0.049	6	105.2960	0.049	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:2:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN){2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	105.2622	0.231	5	105.2960	0.049	6	105.2960	0.049	6	105.2960	0.049	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:2:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]S[5a])(NC[5]H)	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H)	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]S[5a])(NC[5]H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:N-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a])(NOO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a])(NOO){2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	101.9390	0.000	1	101.9390	0.000	1	101.9390	0.000	1	101.9390	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O){3|C<4>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	103.8920	0.000	1	103.8920	0.000	1	104.4490	0.620	2	104.4490	0.620	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O){1|H<1>,2|C<4>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	105.0060	0.000	1	105.0060	0.000	1	104.4490	0.620	2	104.4490	0.620	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]D)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]D){1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){1|D<1>,1|H<1>,2|C<4>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|D<1>,1|H<1>,1|O<2>,3|C<3>}	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.0760	0.000	1	106.1108	0.183	18	106.1108	0.183	18	106.1108	0.183	18	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	105.7570	0.000	1	106.1108	0.183	18	106.1108	0.183	18	106.1108	0.183	18	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.2360	0.224	3	106.1108	0.183	18	106.1108	0.183	18	106.1108	0.183	18	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CNO){2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	106.1118	0.487	13	106.1108	0.183	18	106.1108	0.183	18	106.1108	0.183	18	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]N)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]N)(H){3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	106.4005	0.189	2	106.4005	0.036	2	106.4005	0.036	2	106.4510	0.025	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:2:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(N[6]C[6]Pd)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)(H)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(N[6]C[6]Pd){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]C)(H){1|Pd<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	106.4510	0.025	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O){1|N<2>,2|H<1>,4|C<3>}	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|C<4>,3|H<1>}	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	107.1730	0.000	1	107.1730	0.000	1	107.7857	0.341	3	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	107.8480	0.000	1	107.8480	0.000	1	107.7857	0.341	3	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	108.3360	0.000	1	108.3360	0.000	1	107.7857	0.341	3	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	107.6540	0.000	1	107.6540	0.000	1	108.5170	1.092	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	109.4000	0.396	2	109.4000	0.157	2	108.5170	1.092	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	107.6140	0.000	1	107.6140	0.000	1	108.5170	1.092	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H){2|C<3>,3|H<1>}	106.2260	0.123	2	106.2260	0.015	2	106.4128	0.634	9	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	106.9840	0.000	1	106.9840	0.000	1	106.4128	0.634	9	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Ir<6>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H){2|C<3>,3|H<1>}	106.3798	0.965	6	106.3798	0.931	6	106.4128	0.634	9	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:N[5,6]-3:C[5a]-3:	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Ir)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Ir){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	102.3230	0.000	1	102.3230	0.000	1	102.3310	0.000	2	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:N[5,6]-3:C[5a]-3:	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Rh)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Rh){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	102.3390	0.000	1	102.3390	0.000	1	102.3310	0.000	2	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Pd<4>,1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	106.7897	0.268	3	106.5907	0.206	4	106.5907	0.206	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Pd<4>,1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<3>,2|H<1>,4|C<3>}	105.9940	0.000	1	106.5907	0.206	4	106.5907	0.206	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	104.9450	0.000	1	104.9450	0.000	1	104.9450	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N){3|C<3>,3|H<1>}	109.0590	0.000	1	109.0590	0.000	1	109.2235	0.057	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.0720	0.000	1	109.0720	0.000	1	109.2235	0.057	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	109.3815	0.265	2	109.3815	0.070	2	109.2235	0.057	4	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	108.6790	0.000	1	108.6790	0.000	1	109.4413	0.572	3	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.8225	0.523	2	109.8225	0.273	2	109.4413	0.572	3	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){6|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(N[6]C[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(N[6]C[6]C){1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6]){1|C<4>,3|H<1>,5|C<3>}	110.9230	0.000	1	110.9230	0.000	1	110.9230	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]Re)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]Re)(C[5a]C[5a]C){2|H<1>,3|C<3>}	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.4048	3.386	40	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.4663	0.030	3	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	109.5880	0.000	1	109.5880	0.000	1	109.4663	0.030	3	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	109.2680	0.000	1	109.2680	0.000	1	109.4663	0.030	3	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H){1|C<2>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	107.9980	0.000	1	107.9883	0.011	3	107.8192	0.122	4	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	107.9835	0.149	2	107.9883	0.011	3	107.8192	0.122	4	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	107.3120	0.000	1	107.3120	0.000	1	107.8192	0.122	4	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	108.6530	0.126	2	108.6530	0.016	2	108.3448	0.263	30	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	108.6428	0.524	8	108.6428	0.275	8	108.3448	0.263	30	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	108.7610	0.048	4	108.7610	0.002	4	108.3448	0.263	30	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	107.9430	0.057	2	107.9430	0.003	2	108.3448	0.263	30	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	108.1486	0.544	9	108.1486	0.296	9	108.3448	0.263	30	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	107.9700	0.211	4	107.9700	0.044	4	108.3448	0.263	30	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,3|C<3>}	107.7500	0.000	1	107.7500	0.000	1	108.3448	0.263	30	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.8207	0.454	14	109.8207	0.206	14	109.7706	0.362	18	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	108.7100	0.226	2	108.7100	0.051	2	109.7706	0.362	18	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	110.4800	0.352	2	110.4800	0.124	2	109.7706	0.362	18	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5,5a]C[5,5a]2)(H)	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5,5a]C[5,5a]2)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	108.2365	0.723	2	108.2365	0.523	2	108.2365	0.523	2	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	108.1450	0.000	1	108.1450	0.000	1	108.6725	0.557	2	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H){1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<2>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	109.2000	0.000	1	109.2000	0.000	1	108.6725	0.557	2	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){3|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	106.7730	0.000	1	106.7730	0.000	1	107.8703	0.255	15	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){3|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|O<1>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	107.3160	0.269	2	107.3160	0.072	2	107.8703	0.255	15	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,4|H<1>}	107.9570	0.000	1	107.9570	0.000	1	107.8703	0.255	15	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	108.3710	0.272	3	108.3710	0.074	3	107.8703	0.255	15	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	107.9190	0.477	3	107.9475	0.103	8	107.8703	0.255	15	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	107.8610	0.303	3	107.9475	0.103	8	107.8703	0.255	15	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){2|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	108.1200	0.010	2	107.9475	0.103	8	107.8703	0.255	15	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:Br-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.7040	0.000	1	107.7040	0.000	1	108.2150	0.522	2	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:Br-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.7260	0.000	1	108.7260	0.000	1	108.2150	0.522	2	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	108.7520	0.226	2	108.7520	0.051	2	109.1449	0.171	7	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H){3|H<1>,5|C<3>}	108.9375	0.148	2	108.9375	0.022	2	109.1449	0.171	7	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	109.6250	0.000	1	109.6250	0.000	1	109.1449	0.171	7	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.3230	0.000	1	109.3230	0.000	1	109.1449	0.171	7	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	109.6870	0.000	1	109.6870	0.000	1	109.1449	0.171	7	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){2|F<1>,2|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|N<3>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	109.0150	0.000	1	109.0150	0.000	1	109.2838	0.176	6	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|O<2>,2|F<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	109.7915	0.088	2	109.7915	0.008	2	109.2838	0.176	6	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|S<2>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	109.0350	0.223	3	109.0350	0.050	3	109.2838	0.176	6	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	109.2980	0.261	4	109.2980	0.068	4	109.2980	0.068	4	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a,6a]2)(H)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a,6a]2)(H){1|B<4>,1|S<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	109.3330	0.105	2	109.3330	0.011	2	109.3330	0.011	2	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	110.1546	0.172	5	110.1790	0.027	6	110.0476	0.102	14	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	110.3010	0.000	1	110.1790	0.027	6	110.0476	0.102	14	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	110.0430	0.475	2	109.7830	0.165	4	110.0476	0.102	14	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|O<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	109.5250	0.000	1	109.7830	0.165	4	110.0476	0.102	14	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	109.5210	0.000	1	109.7830	0.165	4	110.0476	0.102	14	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	110.0770	0.366	3	110.1150	0.095	4	110.0476	0.102	14	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	110.2290	0.000	1	110.1150	0.095	4	110.0476	0.102	14	108.8976	0.835	113	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	106.8140	0.000	1	106.8140	0.000	1	106.8140	0.000	1	106.8895	0.011	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	106.9650	0.000	1	106.9650	0.000	1	106.9650	0.000	1	106.8895	0.011	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	109.1620	0.000	1	109.1620	0.000	1	109.1620	0.000	1	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	107.2950	0.000	1	107.2950	0.000	1	107.0545	0.274	10	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	107.2485	0.544	6	107.2485	0.296	6	107.0545	0.274	10	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|Br<1>,3|C<3>}	106.4310	0.000	1	106.4310	0.000	1	107.0545	0.274	10	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	106.6640	0.100	2	106.6640	0.010	2	107.0545	0.274	10	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C){1|B<4>,1|C<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|H<1>,3|C<3>}	107.6850	1.045	2	107.6850	1.092	2	108.1598	0.667	4	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(C){1|B<4>,1|C<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|I<1>,3|C<3>}	108.6345	0.076	2	108.6345	0.006	2	108.1598	0.667	4	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	109.5095	0.235	2	109.5095	0.055	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	107.5330	0.000	1	107.5330	0.000	1	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	107.8115	0.261	2	107.8115	0.068	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.7790	0.000	1	107.6382	0.283	17	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.6535	0.194	2	107.6382	0.283	17	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.7486	0.419	10	107.6382	0.283	17	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.3195	0.887	4	107.6382	0.283	17	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	107.8170	0.156	2	107.8170	0.024	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	108.6210	0.398	7	108.6210	0.158	7	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	107.6930	0.000	1	107.6930	0.000	1	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	107.9470	0.834	4	107.9470	0.696	4	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Pd<4>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,1|H<1>,3|C<3>}	107.7825	0.206	2	107.7825	0.042	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	107.7600	0.000	1	107.7408	0.018	4	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	107.7343	0.163	3	107.7408	0.018	4	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(H){1|Fe<10>,1|B<4>,1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	107.0560	0.000	1	107.0560	0.000	1	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	108.2055	0.091	2	108.2055	0.008	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	107.7662	0.486	10	107.7662	0.236	10	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	108.6405	0.202	2	108.6405	0.041	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	109.0590	0.033	2	109.0590	0.001	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Cl<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	108.2310	0.109	2	108.2310	0.012	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	108.5835	0.111	2	108.5835	0.012	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.9125	0.115	2	107.9125	0.013	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	107.7540	0.000	1	107.8339	0.212	10	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	107.6781	0.406	7	107.8339	0.212	10	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	108.4190	0.247	2	107.8339	0.212	10	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Br<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	108.0624	0.536	5	108.0624	0.287	5	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	108.5465	0.159	2	107.8107	0.239	50	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	107.5701	0.408	30	107.8107	0.239	50	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	108.1299	0.359	18	107.8107	0.239	50	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	108.3073	0.165	9	108.3073	0.027	9	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.7717	0.397	138	107.7717	0.157	138	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	107.4545	0.868	8	107.4545	0.753	8	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	107.5735	0.299	4	107.5735	0.089	4	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|S<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|H<1>,3|C<3>}	109.5740	0.000	1	109.5740	0.000	1	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	108.0485	0.240	2	108.0485	0.057	2	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	108.7275	0.372	4	108.7275	0.138	4	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Si)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Si)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	107.9200	0.000	1	107.9200	0.000	1	107.8615	0.272	297	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|P<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br){1|B<4>,1|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	108.4970	0.000	1	108.4970	0.000	1	107.3961	4.409	8	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br){1|B<4>,1|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	107.8180	0.000	1	107.8180	0.000	1	107.3961	4.409	8	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	108.0745	0.095	2	108.0745	0.009	2	107.3961	4.409	8	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|B<4>,1|C<3>,2|O<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	105.3935	4.190	2	105.3935	17.553	2	107.3961	4.409	8	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){2|Br<1>,1|B<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|B<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	109.0390	0.000	1	109.0390	0.000	1	107.3961	4.409	8	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){1|Br<1>,1|B<4>,2|F<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,1|H<1>,2|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	106.8790	0.000	1	106.8790	0.000	1	107.3961	4.409	8	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	108.9730	0.000	1	108.9730	0.000	1	108.8810	0.017	2	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	108.7890	0.000	1	108.7890	0.000	1	108.8810	0.017	2	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){1|Br<1>,1|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|Br<1>,1|Cl<1>,1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	107.5825	0.032	2	107.5825	0.001	2	107.4045	0.060	4	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){2|Cl<1>,1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	107.2265	0.227	2	107.2265	0.052	2	107.4045	0.060	4	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|N<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	109.8660	0.000	1	109.8660	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	107.7465	0.116	4	107.7465	0.013	4	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	107.9435	0.250	4	107.9435	0.062	4	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	108.1969	0.296	28	107.8116	0.297	66	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	107.2724	0.680	13	107.8116	0.297	66	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.6604	0.346	25	107.8116	0.297	66	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	107.2480	0.285	6	107.2480	0.081	6	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	107.7065	1.098	2	107.8265	0.283	6	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	107.8865	0.234	4	107.8265	0.283	6	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){2|Cl<1>,1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	109.2452	0.155	5	109.2452	0.024	5	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	109.3560	0.000	1	109.3560	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	108.4250	0.240	6	108.4250	0.057	6	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Pd<4>,1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,2|C<3>,2|H<1>}	107.9330	0.000	1	107.9330	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	107.6950	0.000	1	107.6950	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	109.0360	0.335	2	108.5227	0.150	12	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	108.4201	0.318	10	108.5227	0.150	12	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<3>,3|H<1>}	108.4470	0.000	1	108.4470	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	108.2517	0.078	3	108.2517	0.006	3	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H){1|B<4>,1|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	108.9690	0.000	1	108.9690	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	106.7765	0.501	2	106.7765	0.251	2	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	108.0132	0.533	30	108.0132	0.284	30	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	109.2065	0.903	4	109.2065	0.815	4	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	108.1673	0.670	20	108.1673	0.449	20	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Pt<4>,1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	107.1052	0.411	20	107.1052	0.169	20	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H){1|B<4>,1|C<4>,1|S<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	108.0200	0.000	1	108.0200	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|S<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	107.3630	0.000	1	107.3630	0.000	1	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	107.7680	0.281	3	107.7680	0.079	3	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,2|S<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	107.4217	0.161	3	107.4217	0.026	3	107.9308	0.484	202	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	107.3155	0.122	4	107.3155	0.015	4	107.2928	0.014	5	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	107.2020	0.000	1	107.2020	0.000	1	107.2928	0.014	5	107.8654	0.434	535	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:Ga[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ga<6>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	108.5175	0.179	11	108.5175	0.032	11	108.5175	0.032	11	108.3672	0.083	25	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|In<6>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,1|C<2>,1|H<1>}	108.0915	0.377	4	108.0915	0.142	4	108.2492	0.095	14	108.3672	0.083	25	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|In<6>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	108.3123	0.274	10	108.3123	0.075	10	108.2492	0.095	14	108.3672	0.083	25	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|C<4>,4|C<3>,5|H<1>}	106.0430	0.000	1	106.0430	0.000	1	106.0430	0.000	1	106.0430	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	108.9900	0.000	1	108.9900	0.000	1	107.4884	0.872	10	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	108.6410	0.000	1	108.6410	0.000	1	107.4884	0.872	10	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	107.5350	0.081	2	107.5350	0.006	2	107.4884	0.872	10	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	107.0015	0.377	2	107.0015	0.142	2	107.4884	0.872	10	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	106.3245	0.349	2	106.3245	0.122	2	107.4884	0.872	10	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	107.7655	0.808	2	107.7655	0.653	2	107.4884	0.872	10	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|H<1>}	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	108.6480	0.455	2	108.6480	0.207	2	108.6480	0.207	2	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	106.8785	0.179	2	106.8785	0.032	2	108.1311	0.732	11	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	107.7520	0.000	2	107.7520	0.000	2	108.1311	0.732	11	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	109.0260	0.000	1	109.0260	0.000	1	108.1311	0.732	11	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	109.2315	0.330	2	109.2315	0.109	2	108.1311	0.732	11	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){2|Br<1>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	108.6430	0.000	1	108.6430	0.000	1	108.1311	0.732	11	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	108.0163	0.340	3	108.0163	0.115	3	108.1311	0.732	11	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H)	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H){1|H<1>,2|O<2>,5|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<3>,2|H<1>,6|C<3>}	109.0635	0.141	2	109.0635	0.020	2	109.0635	0.020	2	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	107.7510	0.640	4	107.7510	0.410	4	107.7510	0.410	4	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	108.9147	0.412	12	108.9147	0.170	12	108.6396	0.452	16	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	107.8145	0.653	4	107.8145	0.427	4	108.6396	0.452	16	108.1727	0.796	46	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	102.4790	0.000	1	102.4790	0.000	1	102.4790	0.000	1	103.8707	2.090	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N){4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	103.7680	0.000	1	103.7680	0.000	1	103.7680	0.000	1	103.8707	2.090	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	C[5a](C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){2|O<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	105.3650	0.000	1	105.3650	0.000	1	105.3650	0.000	1	103.8707	2.090	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]Ir)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]Ir){2|C<3>,2|C<4>}	103.4160	0.000	1	103.4160	0.000	1	103.4160	0.000	1	105.0633	2.039	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:N[5,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a])	C[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]N[5a]O[5a])(N[5a]C[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a,6]N[5a,6]N[5,6])(C[5a]N[5a]O[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	105.8870	0.088	2	105.8870	0.008	2	105.8870	0.008	2	105.0633	2.039	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:N-2:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	110.4393	0.085	7	110.4393	0.007	7	110.4393	0.007	7	109.3828	3.147	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	106.0120	0.000	1	106.0120	0.000	1	106.0120	0.000	1	109.3828	3.147	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(OC)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(OC){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	109.3828	3.147	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	109.3828	3.147	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	103.9520	0.000	1	103.9520	0.000	1	103.9520	0.000	1	103.9520	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(SC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(SC[6a]){1|B<4>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	107.7595	0.074	2	107.7595	0.006	2	107.7595	0.006	2	108.0150	0.245	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC){1|B<4>,1|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.0150	0.245	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	107.3010	0.000	1	107.3010	0.000	1	108.0013	0.391	3	108.0150	0.245	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	108.3515	0.216	2	108.3515	0.047	2	108.0013	0.391	3	108.0150	0.245	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]N)(NOO)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H){1|N<2>,3|N<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]N[5a]N)(NOO){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|N<3>}	105.9210	0.000	1	105.9210	0.000	1	105.9210	0.000	1	105.9210	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6]C[5a,6]C[6])(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|H<1>,5|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6]C[5a,6]C[6])(COO){1|O<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	108.4670	0.452	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	108.9592	0.667	4	108.9592	0.444	4	108.9592	0.444	4	108.4670	0.452	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	108.0975	0.230	2	108.0975	0.053	2	108.1210	0.108	4	108.4670	0.452	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	107.7780	0.000	1	108.1445	0.269	2	108.1210	0.108	4	108.4670	0.452	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	108.5110	0.000	1	108.1445	0.269	2	108.1210	0.108	4	108.4670	0.452	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	108.4670	0.452	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a,6]N[5a,6])(COO)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a,6]N[5a,6])(COO){1|N<3>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	108.0090	0.101	3	108.0090	0.010	3	108.0090	0.010	3	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CHO)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]Pd)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N){1|Pd<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]Pd){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	111.0083	0.140	3	111.0083	0.019	3	111.0083	0.019	3	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C[6a])(COO)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C[6a])(COO){1|N<3>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	108.8570	0.000	1	108.8570	0.000	1	108.8985	0.003	2	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,4|C<3>}	108.9400	0.000	1	108.9400	0.000	1	108.8985	0.003	2	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	109.1090	0.000	1	109.1090	0.000	1	109.0865	0.001	2	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	109.0640	0.000	1	109.0640	0.000	1	109.0865	0.001	2	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CCO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CCO){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	107.3780	0.000	1	107.3780	0.000	1	107.7106	0.082	5	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	107.9170	0.000	1	107.9170	0.000	1	107.7106	0.082	5	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	107.7527	0.291	3	107.7527	0.085	3	107.7106	0.082	5	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	107.7180	0.000	1	107.7180	0.000	1	107.6420	0.012	2	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	107.5660	0.000	1	107.5660	0.000	1	107.6420	0.012	2	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	110.3910	0.494	2	110.3910	0.244	2	110.3910	0.244	2	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,5|C<3>}	110.4400	0.306	3	110.4400	0.094	3	110.4400	0.094	3	108.9656	1.679	26	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]N[5a]C)(COO)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]N[5a]C)(COO){1|C<3>,1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	105.3591	2.482	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]N[5a]N)(NOO)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]N[5a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|H<1>,3|N<3>}	105.5265	0.344	2	105.5265	0.119	2	105.5265	0.119	2	105.3591	2.482	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[6a]N[5a])(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[6a]N[5a])(COO){1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.1660	0.000	1	105.1660	0.000	1	105.1660	0.000	1	105.3591	2.482	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]H)(NOO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C){1|C<4>,5|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]H)(NOO){1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	103.1085	0.029	2	103.1085	0.001	2	103.1085	0.001	2	105.3591	2.482	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])(CHO)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a]){1|H<1>,4|C<3>}	107.2980	0.000	1	107.2980	0.000	1	107.1400	0.050	2	105.3591	2.482	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])(CHO)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,6|C<3>}	106.9820	0.000	1	106.9820	0.000	1	107.1400	0.050	2	105.3591	2.482	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a]){2|Cl<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	108.3820	0.222	2	108.3820	0.049	2	108.3820	0.049	2	108.8081	0.307	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	109.6480	0.000	1	109.6480	0.000	1	108.8256	0.303	7	108.8081	0.307	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,1|C<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	108.9125	0.203	2	108.9125	0.041	2	108.8256	0.303	7	108.8081	0.307	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	108.5765	0.528	4	108.5765	0.279	4	108.8256	0.303	7	108.8081	0.307	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2){2|Br<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]Br){1|Br<1>,1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	108.8081	0.307	10	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.6370	0.755	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	109.6370	0.755	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(CH3){1|H<1>,2|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	109.6370	0.755	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C){1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[6])(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	110.0080	0.000	1	110.0080	0.000	1	110.0080	0.000	1	109.6370	0.755	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[4,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[4,6]C[4,6]C[4])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF)	C[5a,6](C[4,6]C[4,6]C[4])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[4,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF){2|C<3>,2|C<4>}	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	108.9060	0.205	2	108.9060	0.042	2	109.0150	0.099	4	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|H<1>,6|C<3>}	109.1240	0.454	2	109.1240	0.206	2	109.0150	0.099	4	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	106.9570	0.000	1	106.9570	0.000	1	106.9570	0.000	1	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<3>,3|H<1>}	106.7790	0.000	1	106.7790	0.000	1	106.3050	0.449	2	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(SCOO){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|S<4>,3|H<1>,4|C<3>}	105.8310	0.000	1	105.8310	0.000	1	106.3050	0.449	2	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	107.9630	0.772	4	107.9630	0.596	4	107.9630	0.596	4	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,3|C<3>,3|H<1>}	109.2860	0.037	2	109.2860	0.001	2	109.2860	0.001	2	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	109.3250	0.000	1	109.3250	0.000	1	109.3815	0.006	2	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.4380	0.000	1	109.4380	0.000	1	109.3815	0.006	2	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO){2|C<4>,3|C<3>,3|H<1>}	108.6467	0.342	3	108.6467	0.117	3	108.6467	0.117	3	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	108.8047	0.227	3	108.8047	0.051	3	108.8047	0.051	3	108.4920	0.954	23	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	108.2580	0.000	1	108.2580	0.000	1	108.2120	0.004	2	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	108.1660	0.000	1	108.1660	0.000	1	108.2120	0.004	2	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.8105	0.022	2	107.8105	0.000	2	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.9530	0.228	2	107.9271	0.145	10	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.9206	0.423	8	107.9271	0.145	10	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	108.5243	0.183	3	108.4228	0.227	5	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	108.2705	0.873	2	108.4228	0.227	5	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.9550	0.127	2	107.9550	0.016	2	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	107.9223	0.164	4	107.9223	0.027	4	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	108.0193	0.514	11	107.8927	0.153	78	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	108.1714	0.312	17	107.8927	0.153	78	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	108.1630	0.000	1	107.8927	0.153	78	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.7622	0.329	49	107.8927	0.153	78	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.8635	0.107	2	107.8635	0.011	2	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3){1|B<4>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	107.8110	0.000	1	107.8110	0.000	1	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	108.0124	0.459	8	108.0124	0.210	8	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.7840	0.030	2	108.0682	0.103	6	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.2103	0.301	4	108.0682	0.103	6	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.7730	0.350	182	107.7699	0.142	193	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.7194	0.709	11	107.7699	0.142	193	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.9265	0.392	20	107.9265	0.153	20	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	108.1865	0.432	13	108.1865	0.187	13	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	107.9985	0.127	2	107.9985	0.016	2	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	108.9900	0.922	2	108.9900	0.850	2	107.8587	0.165	348	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.2180	0.000	1	109.2180	0.000	1	108.9816	0.081	11	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.0513	0.391	3	109.0513	0.153	3	108.9816	0.081	11	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.1345	0.245	2	109.1345	0.060	2	108.9816	0.081	11	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.8940	0.290	2	108.8940	0.084	2	108.9816	0.081	11	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.6605	0.128	2	108.6605	0.016	2	108.9816	0.081	11	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|Se<2>,1|B<4>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.0480	0.000	1	109.0480	0.000	1	108.9816	0.081	11	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.5220	0.000	1	107.5220	0.000	1	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	106.6010	0.000	1	106.6010	0.000	1	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,2|C<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	108.7087	0.114	3	108.7087	0.013	3	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,1|C<2>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	108.5860	0.083	3	108.5860	0.007	3	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	107.5920	0.059	2	107.5920	0.004	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	107.9550	0.061	2	107.7528	0.154	13	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	107.7600	0.341	3	107.7528	0.154	13	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.5200	0.444	4	107.7528	0.154	13	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.7540	0.000	1	107.7528	0.154	13	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	108.2385	0.166	2	107.7528	0.154	13	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	107.2860	0.000	1	107.7528	0.154	13	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	108.0665	0.189	2	108.0665	0.036	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.7270	0.000	1	107.7270	0.000	1	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.2193	0.122	4	107.5209	0.123	12	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	107.7550	0.251	7	107.5209	0.123	12	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.0890	0.000	1	107.5209	0.123	12	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	107.4470	0.354	2	107.4470	0.125	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	107.3060	0.754	2	107.3060	0.568	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	108.9000	0.000	1	108.9000	0.000	1	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	108.4625	0.243	2	108.4625	0.059	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	107.5090	0.324	2	107.5090	0.105	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.0575	0.315	10	108.0575	0.099	10	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	108.3855	0.272	2	108.3855	0.074	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.5191	0.647	9	108.5191	0.419	9	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	108.0615	1.490	2	108.0615	2.220	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	108.3901	0.362	11	108.4580	0.175	12	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	109.2050	0.000	1	108.4580	0.175	12	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	108.4590	0.000	1	108.4590	0.000	1	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.5680	0.000	1	108.5680	0.000	1	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.7325	0.086	2	108.7325	0.007	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.4332	0.388	13	108.4332	0.150	13	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	108.4505	0.420	4	108.4505	0.177	4	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Pt)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Pt<4>,1|B<4>,1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	107.0985	0.508	2	107.0985	0.258	2	108.0971	0.365	105	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:Si[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<4>,3|C<3>}	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	107.9416	0.243	467	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	108.3718	0.174	6	108.3718	0.030	6	108.2263	0.105	10	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	108.0240	0.016	2	108.0240	0.000	2	108.2263	0.105	10	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	107.9920	0.687	2	107.9920	0.472	2	108.2263	0.105	10	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	108.3125	0.308	2	108.3125	0.095	2	108.7961	0.091	10	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	109.0175	0.128	4	109.0175	0.016	4	108.7961	0.091	10	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	108.8165	0.053	4	108.8165	0.003	4	108.7961	0.091	10	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	107.8990	0.096	2	107.8990	0.009	2	108.6767	0.383	7	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	108.9878	0.385	5	108.9878	0.148	5	108.6767	0.383	7	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	108.2070	0.000	1	108.2070	0.000	1	108.3620	0.033	3	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	108.3170	0.000	1	108.3170	0.000	1	108.3620	0.033	3	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	108.5620	0.000	1	108.5620	0.000	1	108.3620	0.033	3	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	108.2010	0.257	2	108.2010	0.066	2	108.6763	0.211	6	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	108.9140	0.322	4	108.9140	0.104	4	108.6763	0.211	6	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	107.9502	0.167	4	107.9502	0.028	4	107.9134	0.542	12	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	107.1252	0.311	4	107.1252	0.097	4	107.9134	0.542	12	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,2|C<4>,6|C<3>}	108.2130	0.000	1	108.2130	0.000	1	107.9134	0.542	12	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	109.4250	0.000	1	109.4250	0.000	1	107.9134	0.542	12	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	108.5105	0.090	2	108.5105	0.008	2	107.9134	0.542	12	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	Si[4,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<3>,3|C<4>,4|H<1>}	108.4296	0.336	10	108.4296	0.113	10	108.4296	0.113	10	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	Si[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	108.2250	0.092	2	108.2250	0.008	2	108.2250	0.008	2	108.3969	0.304	60	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<4>,3|H<1>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|O<2>,4|H<1>}	104.4850	0.528	2	104.4850	0.278	2	104.4850	0.278	2	104.4850	0.278	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	105.0470	0.173	2	105.0470	0.030	2	105.0470	0.030	2	105.0470	0.030	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H)	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|O<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|H<1>}	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){2|C<4>,2|O<2>,6|H<1>}	104.0670	0.000	1	104.0670	0.000	1	104.0670	0.000	1	103.9990	0.009	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H)	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|H<1>}	N[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|O<2>,2|C<4>,4|H<1>}	103.9310	0.000	1	103.9310	0.000	1	103.9310	0.000	1	103.9990	0.009	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:2:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5a]-2:C-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC){2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	105.7320	0.000	1	105.7320	0.000	1	105.7320	0.000	1	105.7320	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	108.2800	0.000	1	108.2800	0.000	1	108.2060	0.011	2	108.7866	0.605	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.1320	0.000	1	108.1320	0.000	1	108.2060	0.011	2	108.7866	0.605	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	108.2270	0.256	2	108.2270	0.066	2	108.5422	0.239	4	108.7866	0.605	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	108.8575	0.503	2	108.8575	0.253	2	108.5422	0.239	4	108.7866	0.605	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	109.8560	0.557	2	109.8560	0.310	2	109.8560	0.310	2	108.7866	0.605	8	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CC){1|C<4>,6|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<2>,1|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	107.5710	0.000	1	107.5710	0.000	1	107.5186	0.378	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<4>,6|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){2|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,5|H<1>}	107.1695	0.015	2	107.1695	0.000	2	107.5186	0.378	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.1140	0.000	1	107.1140	0.000	1	107.5186	0.378	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|N<3>,6|H<1>}	108.5690	0.000	1	108.5690	0.000	1	107.5186	0.378	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:Cl-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Cl){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[5,6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,5|H<1>}	109.2630	0.000	1	109.2630	0.000	1	109.2512	0.235	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6])	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6]){1|C<4>,4|H<1>,6|C<3>}	109.0520	0.264	2	109.0520	0.070	2	109.2512	0.235	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	108.8460	0.000	1	109.4445	0.716	2	109.2512	0.235	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	110.0430	0.000	1	109.4445	0.716	2	109.2512	0.235	5	108.3628	0.918	12	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){2|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	106.5370	0.000	1	106.5370	0.000	1	106.5610	0.001	2	106.5610	0.001	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|C<3>,4|H<1>}	106.5850	0.000	1	106.5850	0.000	1	106.5610	0.001	2	106.5610	0.001	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<4>,2|O<2>,4|H<1>}	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	104.5545	0.436	2	104.5545	0.190	2	104.4256	0.080	7	104.4256	0.080	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	104.7730	0.000	1	104.7730	0.000	1	104.4256	0.080	7	104.4256	0.080	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	104.2710	0.011	2	104.2710	0.000	2	104.4256	0.080	7	104.4256	0.080	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	104.4260	0.000	1	104.2775	0.044	2	104.4256	0.080	7	104.4256	0.080	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|C<3>,4|H<1>}	104.1290	0.000	1	104.2775	0.044	2	104.4256	0.080	7	104.4256	0.080	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	4:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	104.7170	0.000	1	104.7170	0.000	1	104.7170	0.000	1	104.7170	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH){5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	106.8920	0.000	1	106.8920	0.000	1	106.8920	0.000	1	106.8920	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[5,6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[5]H){3|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	108.3607	0.612	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]S[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(COO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]S[6]HH){4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(COO){1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|S<2>,3|H<1>,6|C<3>}	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.3607	0.612	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){3|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	108.3607	0.612	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCN)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCN){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	108.3435	0.043	2	108.3435	0.002	2	108.3435	0.002	2	108.3607	0.612	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:Si[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(Si[6]C[6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(Si[6]C[6]CC){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6]){2|H<1>,3|C<4>,5|C<3>}	107.2800	0.000	1	107.2800	0.000	1	107.2800	0.000	1	108.3607	0.612	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	107.8652	2.122	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,3|C<3>,5|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	106.7650	0.410	2	106.7650	0.168	2	106.6927	0.100	3	107.8652	2.122	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,2|C<3>,6|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,3|H<1>}	106.5480	0.000	1	106.5480	0.000	1	106.6927	0.100	3	107.8652	2.122	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CHO)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CHO){2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	107.8652	2.122	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	107.8652	2.122	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5,5a]-3:N-3:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[6,6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	108.0560	0.000	1	108.0560	0.000	1	108.7595	0.990	2	108.7595	0.990	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[5,5a]-3:N-3:	C[5,5a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5,5a]N[5,5a]S[5])(C[6,6]C[3x6]C[6]H)(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	109.4630	0.000	1	109.4630	0.000	1	108.7595	0.990	2	108.7595	0.990	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CCNO){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	108.8830	0.000	1	108.8830	0.000	1	109.4425	0.145	4	109.4425	0.145	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	109.5885	0.090	2	109.5885	0.008	2	109.4425	0.145	4	109.4425	0.145	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	109.7100	0.000	1	109.7100	0.000	1	109.4425	0.145	4	109.4425	0.145	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CCHH){2|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	109.4187	0.379	3	109.2698	0.114	5	109.2698	0.114	5	109.2698	0.114	5	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){1|S<4>,3|C<3>,3|H<1>,4|C<4>}	109.0465	0.070	2	109.2698	0.114	5	109.2698	0.114	5	109.2698	0.114	5	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:2:1:	3:2:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]N[5a])(H){1|C<3>,1|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,3|H<1>}	103.5645	0.455	2	103.5645	0.207	2	103.5645	0.207	2	103.5645	0.207	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:2:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:Ge[6]-2:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ge<2>,1|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.2740	0.091	2	108.2740	0.008	2	108.2740	0.008	2	108.2740	0.008	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[3,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[3,6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[3,6]N[3,6]C[6a]C[3])(C[5a]C[5a,6a]H){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[3,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.5280	0.000	1	107.5280	0.000	1	107.3590	0.244	3	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.7460	0.000	1	107.7460	0.000	1	107.3590	0.244	3	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<3>,2|H<1>,2|N<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){2|C<3>,2|N<3>,4|H<1>}	106.8030	0.000	1	106.8030	0.000	1	107.3590	0.244	3	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	110.1315	0.500	2	110.1315	0.250	2	110.1315	0.250	2	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|N<2>,3|H<1>}	107.9890	0.000	1	107.9890	0.000	1	107.8389	0.052	9	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	107.6280	0.000	1	107.6280	0.000	1	107.8389	0.052	9	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.8180	0.000	1	107.8180	0.000	1	107.8389	0.052	9	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	107.8525	0.264	6	107.8525	0.070	6	107.8389	0.052	9	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.3160	1.087	17	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	109.9715	0.367	4	109.9715	0.134	4	109.9715	0.134	4	109.9715	0.134	4	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|B<4>,1|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	110.5080	0.000	1	110.5080	0.000	1	110.2215	0.164	2	108.8173	1.225	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|N<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	109.9350	0.000	1	109.9350	0.000	1	110.2215	0.164	2	108.8173	1.225	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,2|C<4>,4|H<1>}	108.0980	0.206	2	108.0980	0.043	2	108.0980	0.043	2	108.8173	1.225	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:Ge[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6]PdS)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ge<4>,1|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6]PdS)(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.1325	0.057	2	108.1325	0.003	2	108.1325	0.003	2	108.8173	1.225	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](Ge[6]N[5a,6]AgCl)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Ag<3>,1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ge<4>,1|C<3>,3|C<4>}	N[5a,6](Ge[6]N[5a,6]AgCl)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.5160	0.252	2	108.5160	0.063	2	107.9743	0.229	6	107.9743	0.229	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](Ge[6]N[5a,6]ClCu)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Cu<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ge<4>,1|C<3>,3|C<4>}	N[5a,6](Ge[6]N[5a,6]ClCu)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	107.8545	0.124	2	107.8545	0.015	2	107.9743	0.229	6	107.9743	0.229	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](Ge[6]N[5a,6]ClPd)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ge<4>,1|C<3>,3|C<4>}	N[5a,6](Ge[6]N[5a,6]ClPd)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	107.5525	0.312	2	107.5525	0.097	2	107.9743	0.229	6	107.9743	0.229	6	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:3:	3:4:2:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(COO){2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	106.1820	0.000	1	106.1820	0.000	1	106.1820	0.000	1	106.1820	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:3:	4:3:2:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(COO)	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,4|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]C)(COO){2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,4|C<4>,4|H<1>}	106.2625	0.054	2	106.2625	0.003	2	106.2625	0.003	2	106.2625	0.003	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O){2|C<3>,3|H<1>,4|C<4>}	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	110.2379	0.127	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H){1|C<4>,2|H<1>,5|C<3>}	110.5075	0.163	4	110.5075	0.027	4	110.5075	0.027	4	110.2379	0.127	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|O<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	109.9110	0.000	2	109.9110	0.000	2	109.9110	0.000	2	110.2379	0.127	7	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|H<1>,3|C<3>,6|C<4>}	110.1390	0.000	1	110.1390	0.000	1	110.2460	0.023	2	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|C<3>,3|H<1>,6|C<4>}	110.3530	0.000	1	110.3530	0.000	1	110.2460	0.023	2	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	109.5230	0.000	1	109.3350	0.071	2	110.1084	0.563	9	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|I<1>,5|C<3>}	109.1470	0.000	1	109.3350	0.071	2	110.1084	0.563	9	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	109.4700	0.000	1	109.4700	0.000	1	110.1084	0.563	9	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.3850	0.000	1	111.3850	0.000	1	110.1084	0.563	9	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	110.5820	0.243	3	110.5820	0.059	3	110.1084	0.563	9	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	110.2250	0.000	1	110.2250	0.000	1	110.1084	0.563	9	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	109.4800	0.000	1	109.4800	0.000	1	110.1084	0.563	9	110.1335	0.456	11	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	109.0605	0.237	2	109.0605	0.056	2	109.0605	0.056	2	109.5177	0.655	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	3:4:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	109.5177	0.655	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:2:3:	3:4:2:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[5a,6]N[5a,6]C[5,6])(N[5a]N[5a])(COO)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](C[5,6]C[5,6]O[5]H)(N[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|O<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[5,6])(N[5a]N[5a])(COO){1|H<1>,1|O<2>,2|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	108.1525	0.001	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:3:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	108.1525	0.001	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|S<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,2|H<1>,2|N<3>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,3|H<1>}	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	107.2985	1.337	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:3:4:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,5|H<1>}	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H){1|N<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|H<1>}	106.4810	0.000	1	106.4810	0.000	1	106.4810	0.000	1	107.2985	1.337	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6])(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C[6])(H){1|C<3>,2|H<1>,5|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	108.0630	0.000	1	108.0630	0.000	1	107.9985	0.008	2	107.9985	0.008	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	3:4:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a,6](C[5,6]C[5,6]C[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,4|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.9340	0.000	1	107.9340	0.000	1	107.9985	0.008	2	107.9985	0.008	2	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	107.7623	0.392	3	107.7623	0.153	3	107.7623	0.153	3	107.7623	0.153	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:2:	3:4:2:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	C[5a](C[5a,6]N[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a])	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	103.6573	0.278	3	103.6573	0.077	3	103.6573	0.077	3	103.6573	0.077	3	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	107.9780	1.303	1624	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	111.2280	0.027	2	111.2280	0.001	2	111.2280	0.001	2	110.4375	1.177	6	110.4375	1.177	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	110.4375	1.177	6	110.4375	1.177	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	109.0600	0.000	1	109.0600	0.000	1	109.2395	0.064	2	110.4375	1.177	6	110.4375	1.177	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,4|C<3>}	109.4190	0.000	1	109.4190	0.000	1	109.2395	0.064	2	110.4375	1.177	6	110.4375	1.177	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a])	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	110.4375	1.177	6	110.4375	1.177	6	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5,5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5,5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5a]C[5])(C[5,6a]C[6a]C[5])	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	C[5,5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5a]C[5])(C[5,6a]C[6a]C[5]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	104.2410	0.000	1	104.2410	0.000	1	104.2410	0.000	1	104.2410	0.000	1	104.2410	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5,5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<2>,2|C<3>,5|H<1>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.8320	0.000	1	105.8320	0.000	1	105.4535	0.287	2	105.4535	0.287	2	105.4535	0.287	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5,5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.0750	0.000	1	105.0750	0.000	1	105.4535	0.287	2	105.4535	0.287	2	105.4535	0.287	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6])	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6]){1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]C[5a,6]H)(H){1|C<4>,2|C<3>}	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	106.9920	0.000	1	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	104.8997	0.291	4	104.8997	0.085	4	105.0208	0.137	5	105.0208	0.137	5	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[6,6a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3){1|H<1>,3|C<3>}	105.5050	0.000	1	105.5050	0.000	1	105.0208	0.137	5	105.0208	0.137	5	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,4|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	106.4343	0.015	3	106.4343	0.000	3	106.4123	0.002	4	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|H<1>,3|C<3>}	106.3460	0.000	1	106.3460	0.000	1	106.4123	0.002	4	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.1600	0.000	1	106.2513	0.006	3	106.1450	0.049	4	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,2|C<3>,7|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.2970	0.003	2	106.2513	0.006	3	106.1450	0.049	4	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6]){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	105.8260	0.000	1	105.8260	0.000	1	106.1450	0.049	4	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,2|C<4>,7|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.8470	0.000	1	106.3580	1.237	9	106.3580	1.237	9	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,7|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.8105	0.083	4	106.3580	1.237	9	106.3580	1.237	9	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	105.7832	1.581	4	106.3580	1.237	9	106.3580	1.237	9	106.3206	0.639	17	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[5,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO){1|C<4>,1|H<1>,2|C<3>}	105.1540	0.000	1	105.1540	0.000	1	105.3185	0.054	2	105.3185	0.054	2	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,3|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO){1|C<4>,1|H<1>,2|C<3>}	105.4830	0.000	1	105.4830	0.000	1	105.3185	0.054	2	105.3185	0.054	2	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	106.4770	0.000	1	106.4770	0.000	1	106.5675	0.016	2	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6]C[5,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.6580	0.000	1	106.6580	0.000	1	106.5675	0.016	2	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,2|C<3>,2|H<1>}	C[5a,6,6a](C[5a,6]B[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	106.2430	0.000	1	106.2430	0.000	1	106.2430	0.000	1	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,3|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<4>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	106.9000	0.000	1	106.9000	0.000	1	106.1310	1.183	2	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	105.3620	0.000	1	105.3620	0.000	1	106.1310	1.183	2	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.4170	0.000	1	106.4170	0.000	1	106.5575	0.039	2	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[5a,6]C[5a]C[6]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	106.6980	0.000	1	106.6980	0.000	1	106.5575	0.039	2	106.4356	0.230	8	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6a]-3:B[5a]-4:C-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C){1|H<1>,5|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO){1|H<1>,7|C<3>}	109.2302	0.266	6	109.2302	0.071	6	109.2302	0.071	6	109.2302	0.071	6	106.5910	1.888	39	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a]-3:B[5a]-4:B[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C){2|H<1>,7|C<3>}	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	110.0065	0.943	2	110.0065	0.943	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	110.0065	0.943	2	110.0065	0.943	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	107.4160	0.000	1	107.4160	0.000	1	107.2624	0.069	8	107.1562	0.162	9	107.1562	0.162	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	107.0670	0.000	1	107.2905	0.100	2	107.2624	0.069	8	107.1562	0.162	9	107.1562	0.162	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|Br<1>,1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	107.5140	0.000	1	107.2905	0.100	2	107.2624	0.069	8	107.1562	0.162	9	107.1562	0.162	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	107.3160	0.353	3	107.3160	0.125	3	107.2624	0.069	8	107.1562	0.162	9	107.1562	0.162	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|B<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	107.0770	0.177	2	107.0770	0.031	2	107.2624	0.069	8	107.1562	0.162	9	107.1562	0.162	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO){1|H<1>,6|C<3>}	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	107.1562	0.162	9	107.1562	0.162	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a]2){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){5|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(H){2|H<1>,4|C<3>}	105.9095	0.381	2	105.9095	0.145	2	105.9095	0.145	2	105.9095	0.145	2	106.1797	0.703	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[3x6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[3x6a]C[6,6a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.2595	0.188	4	106.1797	0.703	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[3x6a]2){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	106.0040	0.000	1	106.0040	0.000	1	106.1233	0.171	3	106.2595	0.188	4	106.1797	0.703	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[6a]N[5a])(C[3x6a]C[6a,6a]2){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	106.1830	0.566	2	106.1830	0.320	2	106.1233	0.171	3	106.2595	0.188	4	106.1797	0.703	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6a,6a](C[5a,6a,6a]C[5a,6a]2)(C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH){4|C<3>}	104.8890	0.000	1	104.8890	0.000	1	104.8890	0.000	1	106.2533	2.363	3	106.1797	0.703	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	105.9520	0.000	1	105.9520	0.000	1	105.9520	0.000	1	106.2533	2.363	3	106.1797	0.703	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	106.2533	2.363	3	106.1797	0.703	9	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a])	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a]){2|H<1>,6|C<3>}	105.3360	0.000	1	105.3360	0.000	1	104.3100	2.105	2	104.3100	2.105	2	104.3100	2.105	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5])	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5]){2|H<1>,4|C<3>}	103.2840	0.000	1	103.2840	0.000	1	104.3100	2.105	2	104.3100	2.105	2	104.3100	2.105	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:2:	3:4:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2)	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){1|C<4>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	110.7580	0.000	1	110.7580	0.000	1	110.6075	0.045	2	110.6075	0.045	2	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:2:	3:4:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:N[6a]-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C)	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(N[6a]N[6a]){2|C<4>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]N[6a])(N[5,5a]B[5a]C[5])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|F<1>}	110.4570	0.000	1	110.4570	0.000	1	110.6075	0.045	2	110.6075	0.045	2	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S){1|H<1>,4|C<3>}	103.4390	0.000	1	103.4390	0.000	1	104.0696	0.183	5	105.0716	6.708	7	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|H<1>,3|C<3>}	104.5420	0.000	1	104.5420	0.000	1	104.0696	0.183	5	105.0716	6.708	7	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	104.1223	0.228	3	104.1223	0.052	3	104.0696	0.183	5	105.0716	6.708	7	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N){1|H<1>,2|C<3>}	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	105.0716	6.708	7	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|O<1>,2|H<1>,4|C<3>}	104.2640	0.000	1	104.2640	0.000	1	104.2640	0.000	1	105.0716	6.708	7	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH){2|C<3>,2|O<2>,3|H<1>}	104.2290	0.000	1	104.2290	0.000	1	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	104.1870	0.000	1	104.1870	0.000	1	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	104.1890	0.000	1	104.1890	0.000	1	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	104.2180	0.000	1	104.2180	0.000	1	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	104.2400	1.057	7	104.2281	0.959	8	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	104.1450	0.000	1	104.2281	0.959	8	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	104.4870	0.000	1	104.4870	0.000	1	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	103.4370	0.000	1	103.4370	0.000	1	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	104.3990	0.082	2	104.5607	0.038	4	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	104.7225	0.036	2	104.5607	0.038	4	104.2675	0.467	18	104.2675	0.467	18	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	4:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	104.6220	0.000	1	104.6220	0.000	1	104.6220	0.000	1	104.6220	0.000	1	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:2:	4:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a])	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1	104.3500	0.000	1	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	105.8580	0.130	2	105.8580	0.017	2	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	105.3180	0.000	1	105.3180	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	106.2350	0.000	1	106.2350	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	106.2620	0.000	1	106.2620	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|P<4>,3|H<1>,4|C<3>}	106.1810	0.000	1	106.1810	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	105.7190	0.000	1	105.7190	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.0660	0.000	1	106.0660	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	105.8490	0.000	1	105.8490	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	106.0610	0.000	1	106.2137	0.021	3	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	106.3530	0.000	1	106.2137	0.021	3	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	106.2270	0.000	1	106.2137	0.021	3	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	105.9010	0.000	1	105.7720	0.018	3	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	105.6340	0.000	1	105.7720	0.018	3	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	105.7810	0.000	1	105.7720	0.018	3	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|Se<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se){2|H<1>,3|C<3>}	106.4025	1.077	2	106.4025	1.160	2	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	106.2460	0.000	1	106.2460	0.000	1	106.0197	0.158	18	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	105.6770	0.000	1	105.6770	0.000	1	105.3375	0.231	2	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]){3|H<1>,4|C<3>}	104.9980	0.000	1	104.9980	0.000	1	105.3375	0.231	2	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|C<4>,2|H<1>,6|C<3>}	106.2230	0.000	1	106.4445	0.098	2	106.4814	0.129	5	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){3|H<1>,6|C<3>}	106.6660	0.000	1	106.4445	0.098	2	106.4814	0.129	5	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	106.7440	0.000	1	106.7440	0.000	1	106.4814	0.129	5	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	105.9820	0.000	1	105.9820	0.000	1	106.4814	0.129	5	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|O<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	106.7920	0.000	1	106.7920	0.000	1	106.4814	0.129	5	106.0574	0.225	25	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|Br<1>,1|O<1>,3|H<1>,4|C<3>}	107.2470	0.000	1	107.2470	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH){1|C<4>,2|H<1>,4|C<3>}	106.8280	0.000	1	106.8280	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	106.1550	0.342	2	106.1550	0.117	2	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<2>,2|C<3>,5|H<1>}	107.0595	0.110	2	106.8994	0.114	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	106.8080	0.000	1	106.8994	0.114	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	106.3620	0.000	1	106.8994	0.114	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	107.2080	0.000	1	106.8994	0.114	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN){1|C<4>,3|H<1>,4|C<3>}	106.5780	0.000	1	106.5780	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	106.1450	0.000	1	106.0428	0.391	9	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	105.5480	0.000	1	106.0428	0.391	9	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	106.0286	0.817	5	106.0428	0.391	9	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	106.2745	0.315	2	106.0428	0.391	9	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	107.0760	0.000	1	107.0760	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	107.0840	0.000	1	107.0840	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){4|H<1>,6|C<3>}	107.1730	0.000	1	107.1730	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	106.9400	0.549	5	106.8326	0.237	7	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){5|C<3>,5|H<1>}	106.5640	0.126	2	106.8326	0.237	7	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.1940	0.000	1	107.1940	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	106.7390	0.000	1	106.8878	0.089	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.7770	0.000	1	106.8878	0.089	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.2520	0.000	1	106.8878	0.089	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	106.5310	0.000	1	106.8878	0.089	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.1400	0.000	1	106.8878	0.089	5	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	106.5590	0.000	1	106.5590	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH){2|C<3>,2|C<4>,2|H<1>}	106.2170	0.000	1	106.2170	0.000	1	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|C<3>,4|H<1>}	106.7540	0.080	3	106.7540	0.006	3	106.6419	0.300	40	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5]){2|C<4>,5|H<1>,6|C<3>}	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	106.6326	0.296	41	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	109.6755	0.594	4	109.6755	0.353	4	109.6755	0.353	4	109.6755	0.353	4	106.1095	2.456	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O)	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a,6a]C[6a])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|C<3>,3|H<1>}	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	102.4490	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:2:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	104.8210	0.000	1	104.8210	0.000	1	104.5480	0.149	2	104.5480	0.149	2	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:2:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	104.2750	0.000	1	104.2750	0.000	1	104.5480	0.149	2	104.5480	0.149	2	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	102.8480	0.000	1	102.8480	0.000	1	102.8480	0.000	1	105.4343	15.421	3	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	103.5020	0.000	1	103.5020	0.000	1	103.5020	0.000	1	105.4343	15.421	3	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	105.4343	15.421	3	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S){1|H<1>,3|C<3>}	103.6700	0.000	1	103.6700	0.000	1	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	104.0430	0.000	1	104.0430	0.000	1	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	103.8470	0.000	1	103.8470	0.000	1	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C){1|H<1>,3|C<3>}	103.6260	0.000	1	103.6260	0.000	1	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	104.1675	0.141	2	104.1675	0.020	2	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	104.0370	0.000	1	104.0370	0.000	1	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	104.1642	0.279	4	104.1642	0.078	4	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	104.2447	0.175	3	104.2447	0.031	3	104.0678	0.067	14	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	104.3960	0.000	1	104.3960	0.000	1	104.1260	0.146	2	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	103.8560	0.000	1	103.8560	0.000	1	104.1260	0.146	2	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	104.9645	0.224	2	104.9645	0.050	2	104.9645	0.050	2	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C){1|C<4>,1|H<1>,3|C<3>}	110.6153	0.220	3	110.6153	0.048	3	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	109.6780	0.000	1	109.6780	0.000	1	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	111.3060	0.000	1	110.7980	0.516	2	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	110.2900	0.000	1	110.7980	0.516	2	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	111.2720	0.000	1	111.2720	0.000	1	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	110.4250	0.061	2	110.5387	0.041	3	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	110.7660	0.000	1	110.5387	0.041	3	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	110.6940	0.000	1	110.6940	0.000	1	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	109.8895	0.380	2	110.0966	0.174	5	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	110.7500	0.000	1	110.0966	0.174	5	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	109.9770	0.103	2	110.0966	0.174	5	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,2|H<1>}	110.0570	0.069	2	110.0570	0.005	2	110.4055	0.234	18	107.2897	10.170	36	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF){5|C<3>}	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	106.3780	0.031	2	106.3780	0.001	2	106.7170	0.345	3	105.7168	2.063	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	107.3950	0.000	1	107.3950	0.000	1	106.7170	0.345	3	105.7168	2.063	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.0440	0.000	1	104.2165	0.060	2	104.2165	0.060	2	105.7168	2.063	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.3890	0.000	1	104.2165	0.060	2	104.2165	0.060	2	105.7168	2.063	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,5a]-3:B[5a]-3:	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	107.0377	0.664	3	107.3646	0.718	9	107.6216	0.902	11	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	107.2190	0.000	1	107.3646	0.718	9	107.6216	0.902	11	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	107.5898	1.033	5	107.3646	0.718	9	107.6216	0.902	11	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	108.7785	0.046	2	108.7785	0.002	2	107.6216	0.902	11	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6]){2|Cl<1>,3|H<1>,4|C<3>}	105.6360	0.000	1	105.6360	0.000	1	105.6360	0.000	1	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|F<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	107.9190	0.000	1	107.0905	1.373	2	106.7430	0.540	6	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]F){1|N<2>,2|F<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	106.2620	0.000	1	107.0905	1.373	2	106.7430	0.540	6	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]F){1|N<3>,2|F<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	106.8575	0.360	2	106.8575	0.130	2	106.7430	0.540	6	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S){2|H<1>,3|C<3>}	105.7800	0.000	1	105.7800	0.000	1	106.7430	0.540	6	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	106.7820	0.000	1	106.7820	0.000	1	106.7430	0.540	6	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a]){3|H<1>,5|C<3>}	105.6030	0.000	1	105.6030	0.000	1	105.6030	0.000	1	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	105.9820	0.000	1	105.9820	0.000	1	105.9820	0.000	1	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	104.9570	0.000	1	104.9570	0.000	1	105.4952	0.175	4	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	105.9300	0.000	1	105.9300	0.000	1	105.4952	0.175	4	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N){1|C<4>,1|H<1>,3|C<3>}	105.4060	0.000	1	105.4060	0.000	1	105.4952	0.175	4	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|H<1>,3|C<3>}	105.6880	0.000	1	105.6880	0.000	1	105.4952	0.175	4	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	105.9370	0.279	2	105.9370	0.078	2	106.2567	0.345	3	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a]){3|H<1>,5|C<3>}	106.8960	0.000	1	106.8960	0.000	1	106.2567	0.345	3	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	105.8565	0.293	2	105.8565	0.086	2	105.8565	0.086	2	106.8324	1.756	30	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.2886	0.069	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	108.5820	0.000	1	108.5820	0.000	1	108.3233	0.085	4	108.2886	0.069	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	108.4140	0.000	1	108.2370	0.082	3	108.3233	0.085	4	108.2886	0.069	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	107.9060	0.000	1	108.2370	0.082	3	108.3233	0.085	4	108.2886	0.069	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	108.3910	0.000	1	108.2370	0.082	3	108.3233	0.085	4	108.2886	0.069	5	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:4:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2){3|H<1>,7|C<3>}	109.1835	0.839	2	109.1835	0.704	2	109.1835	0.704	2	109.1835	0.704	2	106.9882	5.998	84	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6]){2|H<1>,6|C<3>}	106.0400	0.000	1	106.0400	0.000	1	106.9898	0.401	4	106.9898	0.401	4	106.9898	0.401	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	107.2890	0.000	1	107.2890	0.000	1	106.9898	0.401	4	106.9898	0.401	4	106.9898	0.401	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	107.3130	0.000	1	107.3150	0.000	2	106.9898	0.401	4	106.9898	0.401	4	106.9898	0.401	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	107.3170	0.000	1	107.3150	0.000	2	106.9898	0.401	4	106.9898	0.401	4	106.9898	0.401	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:2:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C)	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C){1|C<4>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	105.8600	0.110	2	105.8600	0.012	2	105.7030	0.046	4	105.7030	0.046	4	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:2:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N)	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	105.5460	0.167	2	105.5460	0.028	2	105.7030	0.046	4	105.7030	0.046	4	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:2:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a,6]){1|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.8530	0.000	1	104.8530	0.000	1	104.8530	0.000	1	104.8530	0.000	1	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,1|S<2>,4|C<3>}	104.4220	0.000	1	104.4220	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|S<2>,6|C<3>}	104.8970	0.000	1	104.7420	0.048	2	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	104.5870	0.000	1	104.7420	0.048	2	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H){2|H<1>,4|C<3>}	105.4140	0.000	1	105.4140	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,4|C<3>}	104.6357	0.091	3	104.7038	0.014	5	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){3|H<1>,4|C<3>}	104.8060	0.061	2	104.7038	0.014	5	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	104.7710	0.000	1	104.7710	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){1|H<1>,4|C<3>}	104.1720	0.000	1	104.1720	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N){1|H<1>,4|C<3>}	104.6070	0.000	1	104.6070	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	105.0070	0.000	1	105.0070	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	104.0300	0.000	1	104.0300	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	104.6300	0.000	1	104.7980	0.056	2	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	104.9660	0.000	1	104.7980	0.056	2	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|S<2>,4|C<3>,4|H<1>}	105.0390	0.000	1	105.0390	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	104.9850	0.000	1	104.9850	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N){1|H<1>,4|C<3>}	104.0480	0.000	1	104.0480	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	104.9210	0.000	1	104.9210	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	105.4350	0.000	1	105.4350	0.000	1	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]){1|Se<2>,1|C<4>,1|H<1>,4|C<3>}	105.0637	0.079	3	105.0637	0.006	3	104.7767	0.134	24	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5]){1|H<1>,6|C<3>}	112.5310	0.020	2	112.5310	0.000	2	112.5310	0.000	2	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|N<2>,2|H<1>,5|C<3>}	104.6870	0.000	1	104.6870	0.000	1	104.6870	0.000	1	105.3478	4.406	27	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	105.1715	0.350	4	105.1715	0.122	4	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	104.9830	0.216	2	104.9830	0.047	2	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	104.5210	0.000	1	104.5210	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	104.8180	0.000	1	104.8180	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	105.9140	0.000	1	105.9140	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H){1|S<2>,2|H<1>,5|C<3>}	104.7420	0.171	2	104.7420	0.029	2	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	105.0120	0.130	3	105.0120	0.017	3	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,5|C<3>}	104.0120	0.000	1	104.0120	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){1|N<2>,2|H<1>,5|C<3>}	104.8910	0.000	1	104.9732	0.544	11	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	104.9814	0.777	10	104.9732	0.544	11	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	105.5320	0.000	1	105.5320	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,5|H<1>}	105.1250	0.000	1	105.1250	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	104.2790	0.000	1	104.2790	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	105.2600	0.000	1	105.2600	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){4|H<1>,5|C<3>}	104.9130	0.000	1	105.0427	0.072	3	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	105.1075	0.344	2	105.0427	0.072	3	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.5900	0.000	1	105.5900	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.9060	0.000	1	105.9060	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	105.7285	0.374	2	105.7285	0.140	2	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	104.8340	0.000	1	104.8340	0.000	1	105.0593	0.312	38	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C){1|C<4>,3|H<1>,5|C<3>}	104.9300	0.000	1	104.9300	0.000	1	104.9300	0.000	1	105.0560	0.304	39	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:B[5a,6]-4:N[6]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6]){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6]){1|S<4>,5|C<3>}	106.1590	0.000	1	106.1590	0.000	1	106.1590	0.000	1	106.1590	0.000	1	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C){2|H<1>,4|C<3>}	106.4720	0.000	1	106.4720	0.000	1	106.4794	0.070	5	106.4794	0.070	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C){2|H<1>,4|C<3>}	106.3780	0.331	2	106.3780	0.110	2	106.4794	0.070	5	106.4794	0.070	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|Cl<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H){1|H<1>,4|C<3>}	106.5845	0.359	2	106.5845	0.129	2	106.4794	0.070	5	106.4794	0.070	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	106.8960	0.000	1	106.7620	0.036	2	106.7620	0.036	2	105.7542	0.855	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	106.6280	0.000	1	106.7620	0.036	2	106.7620	0.036	2	105.7542	0.855	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	105.0820	0.006	2	105.0823	0.000	3	105.0823	0.000	3	105.7542	0.855	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:2:3:	4:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	105.0830	0.000	1	105.0823	0.000	3	105.0823	0.000	3	105.7542	0.855	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){8|C<3>}	104.4710	0.000	1	104.4710	0.000	1	104.3105	0.052	2	104.8238	0.486	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){8|C<3>}	104.1500	0.000	1	104.1500	0.000	1	104.3105	0.052	2	104.8238	0.486	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6]){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	104.4800	0.000	1	104.4800	0.000	1	104.4800	0.000	1	104.8238	0.486	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S){2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	105.1160	0.000	1	105.1160	0.000	1	105.5090	0.309	2	104.8238	0.486	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	105.9020	0.000	1	105.9020	0.000	1	105.5090	0.309	2	104.8238	0.486	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6]){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H){8|C<3>}	104.4750	0.300	2	104.4750	0.090	2	104.4750	0.090	2	104.9013	0.345	4	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	105.6590	0.000	1	105.6590	0.000	1	105.3275	0.220	2	104.9013	0.345	4	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a,6]){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	104.9960	0.000	1	104.9960	0.000	1	105.3275	0.220	2	104.9013	0.345	4	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[5a,6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[5a,6]N[5a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[5a,6]N[5a]C[6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	136.1760	0.000	1	136.1760	0.000	1	136.1760	0.000	1	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	107.0590	0.000	1	107.0590	0.000	1	107.2640	0.063	12	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.4135	0.071	2	107.4135	0.005	2	107.2640	0.063	12	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.1510	0.232	5	107.1510	0.054	5	107.2640	0.063	12	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	106.9990	0.000	1	107.3740	0.134	3	107.2640	0.063	12	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	107.7300	0.000	1	107.3740	0.134	3	107.2640	0.063	12	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.3930	0.000	1	107.3740	0.134	3	107.2640	0.063	12	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]){3|C<4>,3|H<1>,4|C<3>}	107.4050	0.000	1	107.4050	0.000	1	107.2640	0.063	12	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H){1|C<4>,2|H<1>,5|C<3>}	108.0570	0.295	4	108.0570	0.087	4	108.0570	0.087	4	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N){3|C<3>,3|H<1>}	107.1710	0.000	1	107.1710	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	106.5550	0.000	1	106.5550	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	107.3530	0.000	1	107.3530	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	107.1320	0.000	2	107.0396	0.109	7	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	107.0625	0.173	2	107.0396	0.109	7	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	106.9140	0.000	1	107.0396	0.109	7	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	106.9870	0.764	2	107.0396	0.109	7	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	106.8500	0.000	1	106.8500	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	106.7720	0.000	1	106.7720	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O){2|C<3>,3|H<1>,4|C<4>}	106.7290	0.000	1	106.7290	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	106.5960	0.000	1	106.5960	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	106.5120	0.000	1	106.8015	0.054	4	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	106.8980	0.157	3	106.8015	0.054	4	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	107.1730	0.000	1	107.1730	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	106.9810	0.000	1	106.9810	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	107.0275	0.506	2	107.0975	0.118	6	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	107.2990	0.420	2	107.0975	0.118	6	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	106.9660	0.181	2	107.0975	0.118	6	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	106.7740	0.000	1	106.7740	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	106.7320	0.000	1	106.7320	0.000	1	106.9555	0.089	28	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[5a,6a]C)(C[5a]C[5a,6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[5a,6a]C)(C[5a]C[5a,6]H){1|C<2>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|I<1>,7|C<3>}	105.6750	0.761	3	105.6750	0.579	3	105.6750	0.579	3	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){2|H<1>,7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	109.0680	0.000	1	109.0680	0.000	1	109.0680	0.000	1	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	106.1300	0.000	1	106.1300	0.000	1	106.1300	0.000	1	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	107.4010	0.000	1	107.4010	0.000	1	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6]){2|H<1>,3|C<4>,5|C<3>}	107.4020	0.000	1	107.4020	0.000	1	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	107.1600	0.000	1	107.1600	0.000	1	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	106.9475	0.131	2	106.9475	0.017	2	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	106.6730	0.095	2	107.0030	0.148	4	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	107.3330	0.016	2	107.0030	0.148	4	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6]){1|C<4>,3|H<1>,5|C<3>}	106.9720	0.000	1	106.9720	0.000	1	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	106.5110	0.000	1	106.5110	0.000	1	107.0321	0.104	11	107.5522	13.401	65	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a,6]H)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a,6]H){1|B<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.7355	0.028	2	108.7355	0.001	2	108.7355	0.001	2	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<2>,1|N<3>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	109.3315	0.056	2	109.3315	0.003	2	109.3315	0.003	2	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.4900	0.000	1	107.4900	0.000	1	107.7622	0.090	10	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.8270	0.000	1	107.8270	0.000	1	107.7622	0.090	10	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.6710	0.273	6	107.6710	0.075	6	107.7622	0.090	10	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	108.1395	0.146	2	108.1395	0.021	2	107.7622	0.090	10	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	109.5940	0.000	1	109.5940	0.000	1	109.8037	0.066	7	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	109.9950	0.000	1	109.9950	0.000	1	109.8037	0.066	7	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	110.1600	0.000	1	110.1600	0.000	1	109.8037	0.066	7	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	109.5940	0.000	1	109.5940	0.000	1	109.8037	0.066	7	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	109.6820	0.000	1	109.8685	0.070	2	109.8037	0.066	7	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	110.0550	0.000	1	109.8685	0.070	2	109.8037	0.066	7	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	109.5460	0.000	1	109.5460	0.000	1	109.8037	0.066	7	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	108.7965	0.217	2	108.7965	0.047	2	109.0184	0.068	5	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	109.3650	0.000	1	109.3650	0.000	1	109.0184	0.068	5	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	109.0670	0.034	2	109.0670	0.001	2	109.0184	0.068	5	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H){1|B<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	108.2460	0.259	2	108.2460	0.067	2	110.1219	1.363	16	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.9010	0.000	1	108.9010	0.000	1	110.1219	1.363	16	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	109.0270	0.456	3	109.0270	0.208	3	110.1219	1.363	16	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	110.8721	0.285	7	110.9476	0.114	10	110.1219	1.363	16	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	111.1237	0.450	3	110.9476	0.114	10	110.1219	1.363	16	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.4970	0.000	1	107.9605	0.430	2	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	108.4240	0.000	1	107.9605	0.430	2	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	107.9060	0.000	1	107.9060	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	106.9380	0.000	1	106.9380	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	108.7800	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	107.0990	0.243	2	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	106.6790	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.5820	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	107.8570	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	107.6710	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|I<1>,5|C<3>}	108.3880	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	107.6740	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	108.5070	0.000	1	107.7336	0.460	10	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO){2|C<4>,3|C<3>,3|H<1>}	107.4663	0.288	3	107.4663	0.083	3	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	107.6900	0.000	1	107.7850	0.041	3	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	107.8325	0.262	2	107.7850	0.041	3	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|H<1>,6|C<3>}	106.8075	0.151	2	106.8075	0.023	2	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	108.0400	0.000	1	108.0400	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	107.6470	0.000	1	107.6470	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	106.5690	0.000	1	106.5690	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	108.5040	0.000	1	108.5040	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	108.2392	0.249	4	108.2392	0.062	4	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	107.8930	0.000	1	107.8930	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,5|H<1>}	107.8300	0.000	1	107.8300	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	107.4890	0.000	1	107.2605	0.104	2	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	107.0320	0.000	1	107.2605	0.104	2	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	107.8770	0.000	1	107.7100	0.039	4	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	107.7330	0.000	1	107.7100	0.039	4	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	107.8010	0.000	1	107.7100	0.039	4	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	107.4290	0.000	1	107.7100	0.039	4	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6]){1|C<4>,4|H<1>,6|C<3>}	107.3295	0.081	2	107.3295	0.007	2	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H){3|H<1>,5|C<3>}	107.2890	0.038	2	107.2890	0.001	2	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	107.5420	0.000	1	107.5420	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	107.5800	0.000	1	107.5800	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	107.0020	0.000	1	107.0020	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	107.1410	0.000	1	107.1410	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	107.8420	0.000	1	107.8420	0.000	1	107.6301	0.276	47	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a]){1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[5a,6]H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	109.5676	0.235	5	109.5676	0.055	5	109.5676	0.055	5	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.8360	0.000	1	108.8360	0.000	1	110.0482	0.705	4	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	110.4523	0.280	3	110.4523	0.079	3	110.0482	0.705	4	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.8690	0.000	1	108.8690	0.000	1	108.7925	0.020	4	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.7920	0.219	2	108.7920	0.048	2	108.7925	0.020	4	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,1|O<1>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O){1|B<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.7170	0.000	1	108.7170	0.000	1	108.7925	0.020	4	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|C<3>,3|H<1>,6|C<4>}	107.5530	0.000	1	107.5870	0.002	2	107.5870	0.002	2	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|H<1>,3|C<3>,6|C<4>}	107.6210	0.000	1	107.5870	0.002	2	107.5870	0.002	2	108.5869	1.529	108	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){1|S<4>,3|C<3>,3|H<1>,4|C<4>}	107.5635	0.633	2	107.5506	0.179	5	107.5506	0.179	5	107.5506	0.179	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	107.5420	0.397	3	107.5506	0.179	5	107.5506	0.179	5	107.5506	0.179	5	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	107.1978	6.399	270	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	104.7790	0.000	1	104.7790	0.000	1	104.7790	0.000	1	105.0075	0.104	2	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.2360	0.000	1	105.2360	0.000	1	105.2360	0.000	1	105.0075	0.104	2	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|I<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	103.4830	0.000	1	103.4830	0.000	1	104.3533	0.571	3	104.3533	0.571	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O){1|I<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	104.8440	0.000	1	104.8440	0.000	1	104.3533	0.571	3	104.3533	0.571	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	104.7330	0.000	1	104.7330	0.000	1	104.3533	0.571	3	104.3533	0.571	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){6|C<3>}	105.6960	0.000	1	105.6960	0.000	1	105.6960	0.000	1	106.9190	1.188	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	106.9190	1.188	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	106.9190	1.188	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(O[6a]C[6a,6a]){1|O<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	103.5210	0.000	1	103.5210	0.000	1	103.5210	0.000	1	103.5210	0.000	1	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	104.3675	0.309	2	104.3627	0.048	3	104.3627	0.048	3	104.3627	0.048	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	104.3530	0.000	1	104.3627	0.048	3	104.3627	0.048	3	104.3627	0.048	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	105.1760	0.228	3	105.1760	0.052	3	105.1760	0.052	3	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	105.3090	0.000	1	105.3090	0.000	1	105.3090	0.000	1	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,2|H<1>,5|C<3>}	104.5510	0.000	1	104.5510	0.000	1	104.5510	0.000	1	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	103.7690	0.480	5	103.7627	0.185	6	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	103.7310	0.000	1	103.7627	0.185	6	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	104.7535	0.005	2	104.7535	0.000	2	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F){1|O<1>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]F){2|F<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|F<1>,5|C<3>}	104.4870	0.000	1	104.4870	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	105.2020	0.000	1	105.2020	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.4220	0.000	1	104.4220	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	105.3525	0.226	2	105.3525	0.051	2	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	104.4977	0.501	3	104.4977	0.251	3	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	104.3330	0.146	2	104.3918	0.034	4	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	104.6320	0.000	1	104.3918	0.034	4	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,6|C<3>}	104.2690	0.000	1	104.3918	0.034	4	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	104.9180	0.529	2	104.9180	0.280	2	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.9220	0.000	1	104.9320	0.052	4	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.9353	0.280	3	104.9320	0.052	4	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	104.4520	0.000	1	104.4520	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	105.0760	0.378	2	105.0760	0.143	2	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.6080	0.000	1	104.5313	0.022	3	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	104.4930	0.188	2	104.5313	0.022	3	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	105.0250	0.000	1	105.0250	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	104.5570	0.000	1	104.5570	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	104.3833	0.217	4	104.3833	0.047	4	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	104.1240	0.000	1	104.1240	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	104.7060	0.000	1	104.7670	0.007	2	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	104.8280	0.000	1	104.7670	0.007	2	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	105.0360	0.000	1	105.0360	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	105.7210	0.000	1	105.7210	0.000	1	104.5872	0.276	43	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){2|H<1>,5|C<3>}	104.9860	0.000	1	104.9860	0.000	1	104.9765	0.000	2	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|C<2>,1|H<1>,5|C<3>}	104.9670	0.000	1	104.9670	0.000	1	104.9765	0.000	2	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	105.4050	0.000	1	105.5075	0.021	2	105.6683	0.088	3	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	105.6100	0.000	1	105.5075	0.021	2	105.6683	0.088	3	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	105.9900	0.000	1	105.9900	0.000	1	105.6683	0.088	3	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	111.4740	0.000	1	111.4740	0.000	1	111.4560	0.045	3	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	111.6580	0.000	1	111.6580	0.000	1	111.4560	0.045	3	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	111.2360	0.000	1	111.2360	0.000	1	111.4560	0.045	3	105.0708	2.650	56	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	104.4310	0.000	1	104.4310	0.000	1	104.3900	0.133	5	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){6|C<3>}	104.6870	0.000	1	104.6870	0.000	1	104.3900	0.133	5	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.2773	0.451	3	104.2773	0.203	3	104.3900	0.133	5	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])	C[5a,6a](C[5a,6a]N[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	104.1980	0.000	1	104.1980	0.000	1	104.1980	0.000	1	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	106.0670	0.000	1	106.0670	0.000	1	106.0670	0.000	1	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	105.3097	0.165	3	105.3097	0.027	3	105.1605	0.107	4	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	104.7130	0.000	1	104.7130	0.000	1	105.1605	0.107	4	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	106.8353	0.066	4	106.8353	0.004	4	106.8353	0.004	4	105.3479	1.203	17	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	104.9520	0.000	1	104.9520	0.000	1	105.3160	0.265	2	105.1015	0.451	6	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	105.6800	0.000	1	105.6800	0.000	1	105.3160	0.265	2	105.1015	0.451	6	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.8510	0.000	1	103.8510	0.000	1	103.8510	0.000	1	105.1015	0.451	6	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	105.3753	0.234	3	105.3753	0.055	3	105.3753	0.055	3	105.1015	0.451	6	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	105.8360	0.000	1	105.8360	0.000	1	105.8360	0.000	1	105.7253	0.506	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.9650	0.000	1	104.9650	0.000	1	104.9650	0.000	1	105.7253	0.506	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	105.7253	0.506	3	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	106.1880	0.000	1	106.1880	0.000	1	106.1880	0.000	1	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	107.0700	0.000	1	107.0700	0.000	1	107.0700	0.000	1	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2){1|O<1>,1|O<2>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.6740	0.000	1	108.6740	0.000	1	107.9720	1.915	3	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	106.3780	0.000	1	106.3780	0.000	1	107.9720	1.915	3	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	108.8640	0.000	1	108.8640	0.000	1	107.9720	1.915	3	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	108.1025	0.466	2	108.1025	0.217	2	108.1025	0.217	2	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.1480	0.051	4	108.1480	0.003	4	108.1663	0.006	6	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.2030	0.132	2	108.2030	0.017	2	108.1663	0.006	6	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.3135	0.504	2	114.3135	0.254	2	114.2700	0.181	4	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.2265	0.530	2	114.2265	0.281	2	114.2700	0.181	4	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	108.0140	0.139	2	108.0140	0.019	2	108.0140	0.019	2	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	106.7640	0.000	1	106.7640	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	106.4677	0.464	3	106.4677	0.215	3	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	106.5545	0.204	2	106.5545	0.042	2	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	106.7750	0.206	2	106.7750	0.043	2	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	106.3667	0.077	3	106.3667	0.006	3	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	107.2830	0.000	1	107.2830	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	107.3160	0.211	2	107.3160	0.044	2	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	106.6350	0.000	1	106.6350	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	106.6600	0.000	1	106.6600	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	107.3920	0.000	1	107.3920	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	106.4910	0.000	1	106.4910	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	107.6270	0.000	1	107.6270	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	106.9160	0.000	1	106.9160	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	107.8160	0.000	1	107.5455	0.146	2	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.2750	0.000	1	107.5455	0.146	2	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	106.4580	0.000	1	106.6202	0.032	4	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	106.6743	0.175	3	106.6202	0.032	4	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	106.7440	0.000	1	106.7440	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	106.9870	0.000	1	106.9870	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	106.3460	0.000	1	106.3460	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	108.0320	0.000	1	108.0320	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	107.9030	0.000	1	107.9030	0.000	1	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	107.7600	0.000	1	107.8830	0.030	2	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	108.0060	0.000	1	107.8830	0.030	2	106.9367	0.305	33	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	106.7990	0.000	1	106.7990	0.000	1	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	107.6397	0.863	3	107.6463	0.417	7	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	107.6513	0.582	4	107.6463	0.417	7	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){2|H<1>,6|C<3>}	107.3400	0.000	1	107.3400	0.000	1	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	107.1650	0.000	1	107.1260	0.003	2	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	107.0870	0.000	1	107.1260	0.003	2	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	106.8100	0.000	1	106.8100	0.000	1	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	106.8790	0.000	1	106.7125	0.055	2	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	106.5460	0.000	1	106.7125	0.055	2	107.2964	0.357	14	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	107.7210	0.000	1	107.7210	0.000	1	107.9065	0.069	2	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	108.0920	0.000	1	108.0920	0.000	1	107.9065	0.069	2	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,4|C<3>}	106.3930	0.000	1	106.3930	0.000	1	106.1310	0.137	2	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	105.8690	0.000	1	105.8690	0.000	1	106.1310	0.137	2	107.6610	3.137	74	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	110.0383	0.317	4	110.0383	0.100	4	110.0383	0.100	4	110.0383	0.100	4	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.3515	0.086	2	109.3905	0.032	4	109.4444	0.093	22	109.4444	0.093	22	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.4295	0.288	2	109.3905	0.032	4	109.4444	0.093	22	109.4444	0.093	22	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.4992	0.196	10	109.4992	0.039	10	109.4444	0.093	22	109.4444	0.093	22	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	109.8080	0.156	4	109.8080	0.024	4	109.4444	0.093	22	109.4444	0.093	22	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.9977	0.143	4	108.9977	0.020	4	109.4444	0.093	22	109.4444	0.093	22	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	109.5436	0.408	8	109.7241	0.141	14	109.7241	0.141	14	109.7241	0.141	14	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	109.9860	0.047	2	109.7241	0.141	14	109.7241	0.141	14	109.7241	0.141	14	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	109.9515	0.197	2	109.7241	0.141	14	109.7241	0.141	14	109.7241	0.141	14	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	109.9565	0.111	2	109.7241	0.141	14	109.7241	0.141	14	109.7241	0.141	14	106.9071	5.084	209	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:2:3:	3:2:4:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C){1|C<3>,1|C<4>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,3|C<3>}	107.7190	0.000	1	107.7190	0.000	1	108.1028	0.148	4	107.5435	0.850	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	108.2890	0.000	1	108.4190	0.034	2	108.1028	0.148	4	107.5435	0.850	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	108.5490	0.000	1	108.4190	0.034	2	108.1028	0.148	4	107.5435	0.850	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	107.8540	0.000	1	107.8540	0.000	1	108.1028	0.148	4	107.5435	0.850	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CHHO){1|C<3>,1|C<4>,1|N<2>}	106.4250	0.236	2	106.4250	0.056	2	106.4250	0.056	2	107.5435	0.850	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5,6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	106.1760	0.000	1	106.1760	0.000	1	106.1760	0.000	1	106.1760	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:3:3:	3:2:4:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(N[5a]N[5a]H){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:2:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a]){2|C<3>}	102.5675	0.255	2	102.5675	0.065	2	103.0460	0.345	4	103.0460	0.345	4	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:2:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OH){2|C<3>}	103.5245	0.231	2	103.5245	0.053	2	103.0460	0.345	4	103.0460	0.345	4	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	104.2790	0.000	1	104.2790	0.000	1	104.9270	0.273	5	104.9270	0.273	5	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH){2|C<3>}	104.7820	0.000	1	104.7820	0.000	1	104.9270	0.273	5	104.9270	0.273	5	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	105.1913	0.469	3	105.1913	0.220	3	104.9270	0.273	5	104.9270	0.273	5	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,1|N<2>,3|C<3>}	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	105.4910	0.000	1	105.4910	0.000	1	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	106.6210	0.000	1	106.6210	0.000	1	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	105.3500	0.000	1	105.4975	0.044	2	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	105.6450	0.000	1	105.4975	0.044	2	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.9110	0.343	3	105.9110	0.117	3	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.7250	0.000	1	105.4215	0.184	2	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.1180	0.000	1	105.4215	0.184	2	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.7020	0.000	1	105.7020	0.000	1	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|I<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	106.3460	0.000	1	106.0405	0.121	4	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.6260	0.000	1	106.0405	0.121	4	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	106.0950	0.304	2	106.0405	0.121	4	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.7705	0.384	8	105.7812	0.118	28	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.7854	0.336	20	105.7812	0.118	28	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	106.2520	0.000	1	106.0920	0.051	2	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.9320	0.000	1	106.0920	0.051	2	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.6190	0.317	2	105.7070	0.042	5	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	105.7657	0.144	3	105.7070	0.042	5	105.7988	0.124	49	105.8215	0.147	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(N[6a]C[6a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	106.5855	0.005	2	106.5855	0.000	2	106.5855	0.000	2	105.6460	0.790	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a,6a]O)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	104.4940	0.000	1	104.4940	0.000	1	105.1762	0.433	4	105.6460	0.790	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	105.6750	0.488	2	105.4037	0.340	3	105.1762	0.433	4	105.6460	0.790	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	104.8610	0.000	1	105.4037	0.340	3	105.1762	0.433	4	105.6460	0.790	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[5a,6a]){1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	108.0720	0.000	1	108.0720	0.000	1	108.2700	0.044	5	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	108.3195	0.207	4	108.3195	0.043	4	108.2700	0.044	5	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(COO){2|C<3>}	104.5080	0.044	2	104.5080	0.002	2	104.8038	0.130	6	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCO){2|C<3>}	104.9518	0.358	4	104.9518	0.128	4	104.8038	0.130	6	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.7280	0.000	1	105.7280	0.000	1	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.0910	0.000	1	106.0910	0.000	1	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.6290	0.000	1	105.0595	0.371	2	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4900	0.000	1	105.0595	0.371	2	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.8755	0.105	2	105.8755	0.011	2	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4240	0.000	1	105.4240	0.000	1	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.0240	0.000	1	106.1320	0.023	2	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.2400	0.000	1	106.1320	0.023	2	105.7086	0.236	9	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){6|C<3>}	106.4030	0.000	1	106.4030	0.000	1	106.4030	0.000	1	106.0930	1.891	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.9670	0.264	2	105.9670	0.070	2	105.8918	1.250	4	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.8165	1.913	2	105.8165	3.659	2	105.8918	1.250	4	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	109.0880	0.000	1	109.0880	0.000	1	109.4492	0.063	8	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	109.1480	0.000	1	109.1480	0.000	1	109.4492	0.063	8	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	109.5860	0.000	1	109.5597	0.029	6	109.4492	0.063	8	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	109.5544	0.190	5	109.5597	0.029	6	109.4492	0.063	8	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.5960	0.212	2	108.5960	0.045	2	108.5960	0.045	2	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.8160	0.000	1	105.9390	0.012	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.9800	0.092	3	105.9390	0.012	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	105.7420	0.000	1	105.6780	0.008	2	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	105.6140	0.000	1	105.6780	0.008	2	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<3>}	106.2040	0.000	1	106.2040	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	106.6780	0.000	1	106.3638	0.199	5	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	106.2853	0.473	4	106.3638	0.199	5	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	106.2657	0.294	3	106.2657	0.086	3	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3){4|C<3>}	105.8930	0.053	3	105.8930	0.003	3	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	104.6240	0.000	1	104.6240	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	106.8860	0.000	1	106.8860	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH){4|C<3>}	106.2550	0.000	1	106.2550	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){4|C<3>}	106.4130	0.000	1	106.4130	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	106.2874	0.550	7	106.2874	0.303	7	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.8663	0.223	3	105.8663	0.050	3	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.9806	0.150	5	105.9806	0.023	5	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	106.6090	0.000	1	106.6090	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.3610	0.113	2	106.3610	0.013	2	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[3])(N[5a]C[5a]){1|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.7420	0.000	1	105.7420	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C[4])(N[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	105.3325	0.069	2	105.3325	0.005	2	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	105.3590	0.000	1	105.3590	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	105.5230	0.064	2	105.5153	0.002	3	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	105.5000	0.000	1	105.5153	0.002	3	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.0380	0.167	2	105.3879	0.069	7	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.5713	0.040	3	105.3879	0.069	7	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){2|Cl<1>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.4625	0.152	2	105.3879	0.069	7	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	105.2550	0.000	1	105.2550	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	104.9750	0.000	1	104.9750	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.6977	0.242	4	105.6977	0.059	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.0588	0.233	5	106.0588	0.054	5	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,3|C<3>}	105.4320	0.000	1	105.4320	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<2>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	105.6260	0.000	1	105.8700	0.080	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>}	105.9513	0.282	3	105.8700	0.080	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	105.3770	0.000	1	105.3770	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3){2|C<3>}	105.9790	0.710	2	105.9790	0.504	2	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	106.1513	0.241	9	106.1376	0.051	12	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	105.8710	0.000	1	106.1376	0.051	12	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	106.2090	0.105	2	106.1376	0.051	12	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.1060	0.000	1	106.0003	0.098	25	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.5410	0.223	3	106.0003	0.098	25	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.0910	0.000	1	106.0003	0.098	25	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.6540	0.000	1	106.0003	0.098	25	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.0807	0.276	19	106.0003	0.098	25	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	105.9133	0.325	3	105.9133	0.106	3	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	106.5760	0.000	1	106.0098	0.219	6	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	105.8966	0.421	5	106.0098	0.219	6	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.9490	0.000	1	105.9080	0.048	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.8943	0.266	3	105.9080	0.048	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	105.8740	0.108	4	105.8740	0.012	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pt)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]Pt)(CH3){2|C<3>}	105.9140	0.000	1	105.9140	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	106.0353	0.324	3	106.0353	0.105	3	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	105.8512	0.260	4	105.8512	0.068	4	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.6590	0.000	1	105.4510	1.365	9	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.1530	0.000	1	105.4510	1.365	9	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.3210	1.308	7	105.4510	1.365	9	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	105.8660	0.000	1	105.8660	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	106.1290	0.000	1	106.1290	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	105.0545	1.096	6	105.0545	1.201	6	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	105.9500	0.000	1	105.9500	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|P<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.4320	0.000	1	105.6375	0.084	2	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.8430	0.000	1	105.6375	0.084	2	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	106.3080	0.000	1	106.3080	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	105.5730	0.000	1	105.5730	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]S)(CCHH){2|C<3>}	106.2450	0.000	1	106.2450	0.000	1	105.8795	0.294	158	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,3|H<1>}	106.0290	0.000	1	106.0290	0.000	1	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	105.3380	0.000	1	105.4198	0.096	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	104.8970	0.000	1	105.4198	0.096	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.6710	0.260	2	105.4198	0.096	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	105.4510	0.000	1	105.4198	0.096	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	105.4910	0.000	1	105.4198	0.096	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	105.6965	0.139	2	105.6965	0.019	2	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	105.7820	0.000	1	105.6186	0.533	19	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	105.6095	0.750	18	105.6186	0.533	19	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	106.2170	0.000	1	106.2170	0.000	1	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	105.5320	0.000	1	105.8175	0.085	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	105.6630	0.028	2	105.8175	0.085	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	106.3570	0.000	1	105.8175	0.085	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	105.8450	0.013	2	105.8175	0.085	6	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	105.7255	0.545	2	105.9640	0.319	3	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	106.4410	0.000	1	105.9640	0.319	3	105.6765	0.335	38	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]S)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]OO){2|C<3>}	104.5335	0.083	2	104.5335	0.007	2	104.5335	0.007	2	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:S[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a]){1|C<3>,1|S<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]N[5a]S[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]S[6a])(C[5a]S[5a]S)(CC[6a]CH){1|C<3>,1|S<2>}	114.4650	0.317	4	114.4650	0.101	4	114.4650	0.101	4	106.1605	2.184	217	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[4,5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[4,5]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.7690	0.000	1	104.7690	0.000	1	104.7690	0.000	1	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|D<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|D<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]D)(C[5a]N[5a]D){1|C<4>,2|C<3>,2|D<1>}	106.1190	0.000	1	106.1190	0.000	1	106.0337	0.012	3	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.9110	0.000	1	105.9910	0.013	2	106.0337	0.012	3	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[4])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	106.0710	0.000	1	105.9910	0.013	2	106.0337	0.012	3	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	104.8640	0.000	1	105.6215	0.261	4	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.7680	0.000	1	105.6215	0.261	4	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.9430	0.000	1	105.6215	0.261	4	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.9110	0.000	1	105.6215	0.261	4	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.4855	0.161	2	105.4855	0.026	2	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.8510	0.000	1	105.4135	0.383	2	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	104.9760	0.000	1	105.4135	0.383	2	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	105.5020	0.000	1	105.6375	0.037	2	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|Se<2>,1|C<4>,1|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	105.7730	0.000	1	105.6375	0.037	2	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.1305	0.025	2	105.9923	0.058	3	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){2|C<3>,3|C<4>,3|H<1>}	105.7160	0.000	1	105.9923	0.058	3	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	105.8710	0.000	1	105.9745	0.021	2	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	106.0780	0.000	1	105.9745	0.021	2	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.8380	0.499	9	105.7906	0.155	16	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.7630	0.218	6	105.7906	0.155	16	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.5300	0.000	1	105.7906	0.155	16	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	105.9800	0.000	1	105.9800	0.000	1	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.3690	0.000	1	106.3690	0.000	1	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.6630	0.000	1	105.6630	0.000	1	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	105.6750	0.000	1	105.5606	0.233	13	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.9633	0.662	3	105.5606	0.233	13	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	105.1060	0.000	1	105.5606	0.233	13	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	105.8980	0.000	1	105.5606	0.233	13	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	105.9950	0.000	1	105.5606	0.233	13	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.4797	0.036	3	105.5606	0.233	13	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.0950	0.345	3	105.5606	0.233	13	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]N){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	108.5380	0.000	1	108.5380	0.000	1	105.7703	0.338	48	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	106.1005	0.431	2	106.1005	0.185	2	106.3766	0.540	12	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.5560	0.000	1	105.5560	0.000	1	106.3766	0.540	12	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	106.0390	0.000	1	105.6527	0.193	3	106.3766	0.540	12	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.4595	0.404	2	105.6527	0.193	3	106.3766	0.540	12	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	106.7160	0.474	2	106.7160	0.224	2	106.3766	0.540	12	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	107.0930	0.391	4	107.0930	0.153	4	106.3766	0.540	12	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,2|N<3>,2|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]S[5a]O){2|C<3>,2|C<4>,2|H<1>}	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	105.9845	1.118	65	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	107.6070	0.000	1	107.6070	0.000	1	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	107.5280	0.000	1	107.5280	0.000	1	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	107.4453	0.314	3	107.4453	0.099	3	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	107.1495	1.019	2	107.0947	0.528	3	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	106.9850	0.000	1	107.0947	0.528	3	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	107.1770	0.000	1	107.1770	0.000	1	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	107.3915	0.260	6	107.3915	0.068	6	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	107.6110	0.000	1	107.6110	0.000	1	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	106.9720	0.000	1	106.9720	0.000	1	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|I<1>,2|C<3>}	107.3030	0.000	1	107.3030	0.000	1	107.3426	0.127	18	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(C[5a]N[5a]N){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	107.5260	0.000	1	107.5260	0.000	1	107.3027	0.055	3	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	107.1910	0.185	2	107.1910	0.034	2	107.3027	0.055	3	107.3369	0.114	21	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	106.8050	0.000	1	106.8050	0.000	1	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	107.7640	0.000	1	106.6963	1.449	3	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	106.1625	1.090	2	106.6963	1.449	3	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	107.7055	0.043	2	107.7055	0.002	2	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	107.4500	0.000	1	107.4500	0.000	1	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	106.6910	0.660	2	106.6910	0.436	2	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	107.0167	0.234	3	107.3130	0.174	17	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	107.1955	0.152	2	107.3130	0.174	17	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	107.0100	0.011	2	107.3130	0.174	17	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	107.5553	0.425	9	107.3130	0.174	17	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	106.8620	0.000	1	107.3130	0.174	17	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	107.9850	0.000	1	107.7105	0.151	2	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	107.4360	0.000	1	107.7105	0.151	2	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	107.3580	0.283	11	107.3580	0.080	11	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	106.6950	0.000	1	106.6950	0.000	1	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	107.4010	0.173	2	107.4010	0.030	2	107.2694	0.250	42	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	107.2020	0.000	1	107.2020	0.000	1	107.3590	0.233	7	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	107.1810	0.000	1	106.9620	0.096	2	107.3590	0.233	7	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	106.7430	0.000	1	106.9620	0.096	2	107.3590	0.233	7	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	107.5968	0.495	4	107.5968	0.245	4	107.3590	0.233	7	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	108.5080	0.147	2	108.5080	0.022	2	108.5080	0.022	2	107.3414	0.289	53	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,1|N<3>,3|C<3>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.2630	0.000	1	108.7068	0.096	5	108.6442	0.100	6	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.7410	0.183	3	108.7068	0.096	5	108.6442	0.100	6	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.0480	0.000	1	108.7068	0.096	5	108.6442	0.100	6	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.3310	0.000	1	108.3310	0.000	1	108.6442	0.100	6	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	107.5190	0.000	1	107.5190	0.000	1	107.5190	0.000	1	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	108.7210	0.139	3	108.7210	0.019	3	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a,6a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	108.1930	0.481	4	108.1930	0.231	4	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.5620	0.000	1	109.6903	0.025	3	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.7545	0.162	2	109.6903	0.025	3	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	110.0690	0.000	1	110.0690	0.000	1	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.2880	0.000	1	109.7578	0.120	4	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.7730	0.000	1	109.7578	0.120	4	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	110.1180	0.000	1	109.7578	0.120	4	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.8520	0.000	1	109.7578	0.120	4	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.2720	0.000	1	109.2720	0.000	1	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	110.6060	0.000	1	110.6060	0.000	1	109.2344	0.661	17	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,4|C<3>}	108.4565	0.025	2	108.4565	0.001	2	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<2>,2|C<3>}	108.5830	0.000	1	108.5276	0.096	5	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	108.4880	0.432	3	108.5276	0.096	5	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	108.5910	0.000	1	108.5276	0.096	5	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){5|C<3>}	108.2030	0.000	1	108.2030	0.000	1	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	108.2748	0.227	9	108.2748	0.051	9	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	108.6985	1.549	2	108.6985	2.400	2	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|Cl<1>,2|C<3>}	110.2140	0.000	1	110.2140	0.000	1	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>}	108.5370	0.000	1	108.5370	0.000	1	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	108.1590	0.000	1	108.1590	0.000	1	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	107.8220	0.000	1	108.1248	0.043	4	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,4|C<3>}	108.2257	0.056	3	108.1248	0.043	4	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	108.3410	0.000	1	108.9440	0.615	4	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.1450	0.825	3	108.9440	0.615	4	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<2>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	108.3815	0.006	2	108.3815	0.000	2	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	108.4740	0.000	1	108.4740	0.000	1	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	109.1970	0.000	1	109.1970	0.000	1	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	108.7490	0.122	2	108.7490	0.015	2	108.5206	0.310	36	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	107.8260	0.000	1	107.8260	0.000	1	107.9960	0.058	2	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]P)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|P<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]P)(H){1|H<1>,2|C<3>}	108.1660	0.000	1	108.1660	0.000	1	107.9960	0.058	2	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(H){1|C<4>,2|C<3>}	107.0510	0.000	1	107.7025	0.849	2	107.7025	0.849	2	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(H){3|C<3>}	108.3540	0.000	1	107.7025	0.849	2	107.7025	0.849	2	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){3|C<3>}	109.6730	0.519	2	109.6730	0.269	2	109.5197	0.205	3	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]N[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]N[6a]){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|N<2>,4|C<3>}	109.2130	0.000	1	109.2130	0.000	1	109.5197	0.205	3	108.7545	0.616	69	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.4320	0.000	1	106.6015	0.057	2	106.6015	0.057	2	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.7710	0.000	1	106.6015	0.057	2	106.6015	0.057	2	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.3910	0.000	1	106.3910	0.000	1	106.3910	0.000	1	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	106.0670	0.000	1	106.0670	0.000	1	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	106.7350	0.000	1	106.7350	0.000	1	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.2320	0.525	2	107.3569	0.236	18	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.7260	0.815	2	107.3569	0.236	18	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.3012	0.283	4	107.3569	0.236	18	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.0320	0.000	1	107.3569	0.236	18	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.5803	0.484	7	107.3569	0.236	18	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.6050	0.078	2	107.3569	0.236	18	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.7410	0.000	1	107.3850	0.604	3	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	108.2480	0.000	1	107.3850	0.604	3	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.1660	0.000	1	107.3850	0.604	3	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.2650	0.000	1	106.7248	0.155	5	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.4840	0.000	1	106.7248	0.155	5	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.2430	0.000	1	106.7248	0.155	5	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.6370	0.000	1	106.7248	0.155	5	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.9950	0.000	1	106.7248	0.155	5	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.7810	0.000	1	106.7810	0.000	1	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	107.1140	0.000	1	107.1140	0.000	1	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	107.4050	0.000	1	107.2180	0.028	3	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	107.1245	0.056	2	107.2180	0.028	3	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	107.9770	0.000	1	107.5965	0.290	2	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)(C[6a]N[6a]O){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	107.2160	0.000	1	107.5965	0.290	2	107.1928	0.290	35	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]2)(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.5790	0.000	1	107.5790	0.000	1	107.4520	0.032	2	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.3250	0.000	1	107.3250	0.000	1	107.4520	0.032	2	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.3880	0.231	5	107.3007	0.088	6	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.8640	0.000	1	107.3007	0.088	6	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.2635	0.193	2	106.2635	0.037	2	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.4860	0.000	1	106.6155	0.006	6	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.6414	0.047	5	106.6155	0.006	6	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.4590	0.000	1	106.3715	0.015	2	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.2840	0.000	1	106.3715	0.015	2	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|O<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.8050	0.158	2	107.8050	0.025	2	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.5800	0.000	2	106.5800	0.000	2	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.1317	0.212	6	107.3089	0.134	17	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.5453	0.743	3	107.3089	0.134	17	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.3531	0.253	8	107.3089	0.134	17	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.0780	0.000	1	106.6647	0.472	8	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.6057	0.720	7	106.6647	0.472	8	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){6|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	106.7920	0.000	1	106.7920	0.000	1	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.9155	0.145	2	106.9155	0.021	2	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.3150	0.000	1	106.3150	0.000	1	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	106.5180	0.210	6	106.5180	0.044	6	106.9300	0.285	55	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.0155	0.317	2	107.2060	0.245	4	107.2060	0.245	4	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.3965	0.699	2	107.2060	0.245	4	107.2060	0.245	4	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	109.8680	0.000	1	109.5125	0.253	2	109.4610	0.066	5	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<4>,4|C<3>}	109.1570	0.000	1	109.5125	0.253	2	109.4610	0.066	5	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|Cl<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	109.4210	0.018	2	109.4267	0.000	3	109.4610	0.066	5	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	109.4380	0.000	1	109.4267	0.000	3	109.4610	0.066	5	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a])	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a]){1|C<4>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(C[5a]N[5a]C){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	107.1803	0.604	106	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	108.4485	0.165	2	108.3362	0.052	5	108.3362	0.052	5	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	108.2613	0.263	3	108.3362	0.052	5	108.3362	0.052	5	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(COO){1|H<1>,4|C<3>}	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	108.2380	0.000	1	108.2380	0.000	1	108.5655	0.215	2	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	108.8930	0.000	1	108.8930	0.000	1	108.5655	0.215	2	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<4>,4|C<3>}	108.5540	0.000	1	108.5540	0.000	1	108.5546	0.214	8	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	108.3750	0.000	1	108.3750	0.000	1	108.5546	0.214	8	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	109.2375	0.251	2	109.2375	0.063	2	108.5546	0.214	8	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	108.4195	0.084	2	108.4195	0.007	2	108.5546	0.214	8	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	108.1510	0.000	1	108.0970	0.006	2	108.5546	0.214	8	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	108.0430	0.000	1	108.0970	0.006	2	108.5546	0.214	8	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(NCH){1|H<1>,2|C<3>}	107.2525	0.452	2	107.2525	0.204	2	107.2525	0.204	2	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[6a])(N[6a]C[6a]){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	107.0280	0.378	2	107.0280	0.143	2	107.0280	0.143	2	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	107.4459	0.226	7	107.4459	0.051	7	107.4459	0.051	7	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[5,6a]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	107.9784	0.503	28	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a]){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	109.2815	0.084	2	109.2815	0.007	2	109.4279	0.155	7	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	109.5760	0.000	1	109.5760	0.000	1	109.4279	0.155	7	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	108.7220	0.000	1	108.7220	0.000	1	109.4279	0.155	7	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	109.7000	0.000	1	109.7000	0.000	1	109.4279	0.155	7	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	109.9610	0.000	1	109.9610	0.000	1	109.4279	0.155	7	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	109.4730	0.000	1	109.4730	0.000	1	109.4279	0.155	7	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6,6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,4|C<3>}	109.1820	0.000	1	109.1820	0.000	1	109.0495	0.431	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|O<2>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SCOO){1|H<1>,4|C<3>}	108.1030	0.000	1	108.1030	0.000	1	109.0495	0.431	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,4|C<3>}	109.3000	0.000	1	109.3000	0.000	1	109.0495	0.431	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(N[6a]C[6a]){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,4|C<3>}	109.6130	0.000	1	109.6130	0.000	1	109.0495	0.431	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	109.2105	0.316	2	109.2105	0.100	2	109.1830	0.128	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ir)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ir){1|H<1>,2|C<3>}	108.7800	0.000	1	108.7800	0.000	1	109.1830	0.128	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ru){1|H<1>,2|C<3>}	109.5310	0.000	1	109.5310	0.000	1	109.1830	0.128	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH){3|C<3>}	109.4040	0.000	1	109.4040	0.000	1	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	108.5950	0.000	1	108.5950	0.000	1	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	108.1590	0.000	1	108.1590	0.000	1	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	108.7530	0.000	1	108.7530	0.000	1	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	108.8290	0.000	1	108.8780	0.005	2	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	108.9270	0.000	1	108.8780	0.005	2	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){3|C<3>}	108.5030	0.000	1	108.5030	0.000	1	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	108.2650	0.000	1	108.2650	0.000	1	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	108.5323	0.326	3	108.5323	0.107	3	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	108.6070	0.000	1	108.6070	0.000	1	108.6366	0.123	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){3|C<3>}	107.9830	0.000	1	107.9830	0.000	1	107.7878	0.114	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){3|C<3>}	107.3090	0.000	1	107.3090	0.000	1	107.7878	0.114	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	107.9295	0.186	2	107.9295	0.035	2	107.7878	0.114	4	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C){1|H<1>,2|C<3>}	109.3340	0.213	6	109.3340	0.045	6	109.1280	0.059	26	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2Cl)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2Cl){1|H<1>,2|C<3>}	108.9863	0.275	3	108.9863	0.076	3	109.1280	0.059	26	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]3){1|H<1>,2|C<3>}	109.0436	0.226	13	109.0436	0.051	13	109.1280	0.059	26	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]CC){1|H<1>,2|C<3>}	109.1993	0.136	4	109.1993	0.019	4	109.1280	0.059	26	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	109.7560	0.000	1	109.7560	0.000	1	109.7560	0.000	1	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]Cl){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|Cl<1>,2|C<3>}	109.6380	0.000	1	109.6380	0.000	1	109.0999	0.170	8	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|B<3>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH){1|H<1>,2|C<3>,2|O<2>}	109.2620	0.000	1	109.2620	0.000	1	109.0999	0.170	8	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	109.6830	0.000	1	109.6830	0.000	1	109.0999	0.170	8	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	108.8863	0.244	3	108.8863	0.059	3	109.0999	0.170	8	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH){1|H<1>,4|C<3>}	108.9670	0.000	1	108.9670	0.000	1	109.0999	0.170	8	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]S){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH){1|S<2>,2|C<3>}	108.5900	0.000	1	108.5900	0.000	1	109.0999	0.170	8	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)(N[6a]C[6a]){1|Cl<1>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,2|C<3>}	107.4440	0.553	2	107.4740	0.156	3	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){3|C<3>}	107.5340	0.000	1	107.4740	0.156	3	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,2|C<3>}	107.4850	0.000	1	107.4850	0.000	1	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	107.1970	0.000	1	107.1970	0.000	1	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	107.1110	0.147	2	107.1110	0.022	2	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	107.2970	0.000	1	107.2970	0.000	1	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	107.5210	0.000	1	107.5210	0.000	1	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	106.7160	0.000	1	106.7160	0.000	1	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	107.8520	0.000	1	107.8520	0.000	1	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	106.2890	0.000	1	106.2890	0.000	1	107.2501	0.202	12	108.7160	0.679	81	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:5:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-5:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2RuH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]B)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<5>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	109.0602	0.654	5	109.0602	0.427	5	109.0602	0.427	5	109.0602	0.427	5	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	107.4540	0.000	1	107.2235	0.106	2	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	106.9930	0.000	1	107.2235	0.106	2	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,1|F<1>,1|H<1>,2|C<3>,2|C<4>}	106.6780	0.000	1	106.6780	0.000	1	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.6520	0.000	1	106.8160	0.054	2	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	106.9800	0.000	1	106.8160	0.054	2	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	107.1360	0.000	1	107.1360	0.000	1	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	106.8470	0.000	1	106.8750	0.050	3	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	106.8890	0.315	2	106.8750	0.050	3	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	107.1270	0.000	1	107.1270	0.000	1	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<4>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	107.4865	0.033	2	107.4865	0.001	2	107.0515	0.096	12	107.0592	0.089	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	108.4495	0.159	2	108.4495	0.025	2	108.4495	0.025	2	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	107.2540	0.000	1	107.2540	0.000	1	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	108.5160	0.000	1	108.5160	0.000	1	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	107.5190	0.000	1	107.5190	0.000	1	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	107.8900	0.000	1	107.8900	0.000	1	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	108.9160	0.000	1	108.9160	0.000	1	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.8380	0.000	1	108.8347	0.115	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	109.1720	0.000	1	108.8347	0.115	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	108.4940	0.000	1	108.8347	0.115	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	107.8160	0.000	1	107.8160	0.000	1	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	108.5060	0.000	1	108.1393	0.241	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.3300	0.000	1	108.1393	0.241	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	107.5820	0.000	1	108.1393	0.241	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	108.3120	0.000	1	107.8935	0.350	2	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	107.4750	0.000	1	107.8935	0.350	2	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|I<1>,2|C<3>,2|C<4>}	108.9170	0.000	1	108.5603	0.319	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	108.8550	0.000	1	108.5603	0.319	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	107.9090	0.000	1	108.5603	0.319	3	108.2530	0.354	17	108.2737	0.320	19	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	4:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.4195	0.309	2	107.4195	0.095	2	107.4195	0.095	2	107.4195	0.095	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O){1|Cl<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	104.2705	0.528	2	104.2705	0.279	2	104.2705	0.279	2	104.2705	0.279	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	105.9560	0.000	1	105.9560	0.000	1	105.3512	0.527	18	105.3512	0.527	18	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	104.7395	0.304	4	104.7395	0.092	4	105.3512	0.527	18	105.3512	0.527	18	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	105.0700	0.000	1	105.0700	0.000	1	105.3512	0.527	18	105.3512	0.527	18	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|N<2>}	105.0780	0.000	1	105.0780	0.000	1	105.3512	0.527	18	105.3512	0.527	18	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|N<2>}	105.6750	0.000	1	105.6750	0.000	1	105.3512	0.527	18	105.3512	0.527	18	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	105.6740	0.000	1	105.6740	0.000	1	105.3512	0.527	18	105.3512	0.527	18	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	105.5456	0.874	9	105.5456	0.764	9	105.3512	0.527	18	105.3512	0.527	18	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a]){1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	102.7210	0.000	1	102.6185	0.049	4	102.6185	0.049	4	102.6185	0.049	4	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a]N[5a])(O[6a]C[6a]){1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	102.5843	0.258	3	102.6185	0.049	4	102.6185	0.049	4	102.6185	0.049	4	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	105.7700	0.000	1	105.7700	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	105.8745	0.159	2	105.8745	0.025	2	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<2>,2|N<2>}	105.6510	0.065	2	105.6510	0.004	2	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|Cl<1>,2|N<2>}	105.6600	0.000	1	105.6600	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	106.0170	0.000	1	106.0170	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH){1|Cl<1>,2|N<2>}	104.7480	0.000	1	104.7480	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	105.4490	0.000	1	105.4490	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	105.8790	0.000	1	105.8790	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	105.3810	0.000	1	105.3810	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	105.9120	0.000	1	105.8670	0.004	2	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	105.8220	0.000	1	105.8670	0.004	2	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|N<2>,1|N<3>,1|O<1>}	105.6210	0.000	1	105.6210	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<2>,2|N<2>}	106.3470	0.000	1	106.3470	0.000	1	105.7105	0.128	15	105.7105	0.128	15	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|N<3>,2|C<4>,2|H<1>,2|N<2>}	104.2500	0.000	1	104.2500	0.000	1	104.2500	0.000	1	104.2500	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	105.5825	0.179	2	105.5825	0.032	2	105.8227	0.189	3	105.8227	0.189	3	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:2:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	106.3030	0.000	1	106.3030	0.000	1	105.8227	0.189	3	105.8227	0.189	3	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	104.3600	0.000	1	104.3600	0.000	1	104.0585	0.241	20	104.3243	2.296	23	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	104.0924	0.449	17	104.0924	0.202	17	104.0585	0.241	20	104.3243	2.296	23	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	102.9710	0.000	1	102.9710	0.000	1	104.0585	0.241	20	104.3243	2.296	23	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,2|C<3>}	104.2690	0.000	1	104.2690	0.000	1	104.0585	0.241	20	104.3243	2.296	23	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){3|C<3>}	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	104.3243	2.296	23	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,2|C<3>}	102.8300	0.000	1	102.8300	0.000	1	102.8300	0.000	1	104.3243	2.296	23	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H){3|C<3>}	104.6370	0.000	1	104.6370	0.000	1	104.6370	0.000	1	104.3243	2.296	23	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	102.3210	0.292	9	102.3210	0.086	9	102.3522	0.109	12	102.3522	0.109	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4]){1|H<1>,2|C<3>}	102.6350	0.000	1	102.6350	0.000	1	102.3522	0.109	12	102.3522	0.109	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a]){1|H<1>,2|C<3>}	101.8880	0.000	1	101.8880	0.000	1	102.3522	0.109	12	102.3522	0.109	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH){1|H<1>,2|C<3>}	102.8140	0.000	1	102.8140	0.000	1	102.3522	0.109	12	102.3522	0.109	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC){1|H<1>,2|C<3>}	104.7415	0.716	8	104.7415	0.513	8	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){1|H<1>,2|C<3>}	104.1710	0.000	1	104.1710	0.000	1	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	103.9460	0.218	4	103.9460	0.048	4	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS){1|H<1>,2|C<3>}	103.9220	0.000	1	103.9220	0.000	1	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O){1|H<1>,2|C<3>}	103.8405	0.057	2	103.8405	0.003	2	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	103.5690	0.153	2	103.5690	0.023	2	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|H<1>,2|C<3>}	103.8015	0.009	2	103.8015	0.000	2	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS){1|H<1>,2|C<3>}	104.3130	0.000	1	104.3130	0.000	1	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S){1|H<1>,2|C<3>}	104.3310	0.000	1	104.3310	0.000	1	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS){1|H<1>,2|C<3>}	103.8750	0.652	2	103.8750	0.425	2	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC){1|H<1>,2|C<3>}	104.0133	0.198	6	104.0133	0.039	6	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	103.7245	0.142	2	103.7245	0.020	2	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|H<1>,2|C<3>}	103.6880	0.000	1	103.6880	0.000	1	104.1164	0.293	33	104.1164	0.293	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH){3|C<3>}	104.2330	0.115	2	104.2330	0.013	2	104.2330	0.013	2	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	103.1260	0.000	1	103.1260	0.000	1	103.1260	0.000	1	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	103.3685	0.255	2	103.3685	0.065	2	103.3685	0.065	2	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	107.3080	0.188	2	107.3080	0.035	2	107.3080	0.035	2	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	103.3325	0.098	2	103.3325	0.010	2	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	104.3950	0.000	1	104.3950	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	104.0968	0.661	4	104.0968	0.437	4	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	104.1987	0.268	72	104.1987	0.072	72	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	104.6210	0.000	1	104.6210	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	104.1705	0.062	2	104.1705	0.004	2	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C){1|H<1>,2|C<3>}	103.9397	0.590	6	103.9397	0.348	6	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	103.8973	0.123	3	103.8973	0.015	3	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	104.3861	0.495	12	104.3861	0.245	12	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	104.0880	0.000	1	103.5174	0.765	5	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	103.3748	0.940	4	103.5174	0.765	5	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|H<1>,2|C<3>}	104.7480	0.000	1	104.7480	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	104.7570	0.000	1	104.7570	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	104.1922	0.180	5	104.1922	0.032	5	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	104.3100	0.569	2	104.3100	0.323	2	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS){1|H<1>,2|C<3>}	104.0070	0.000	1	104.0070	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	104.0433	0.243	24	104.0433	0.059	24	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	103.8105	0.087	2	103.8105	0.008	2	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,2|C<3>}	104.2590	0.000	1	104.2590	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH){1|H<1>,2|C<3>}	103.9870	0.000	1	103.9870	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	104.3490	0.000	1	104.3490	0.000	1	104.1402	0.151	147	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO){1|H<1>,2|C<3>}	103.5020	0.000	1	103.5020	0.000	1	103.4243	0.027	4	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO){1|H<1>,2|C<3>}	103.5740	0.000	1	103.5740	0.000	1	103.4243	0.027	4	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO){1|H<1>,2|C<3>}	103.1950	0.000	1	103.1950	0.000	1	103.4243	0.027	4	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO){1|H<1>,2|C<3>}	103.4260	0.000	1	103.4260	0.000	1	103.4243	0.027	4	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:As[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH){1|H<1>,2|C<3>}	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	104.2553	1.568	161	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a]H){1|C<4>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|N<2>,2|C<3>}	105.9253	0.215	3	105.9253	0.046	3	105.9253	0.046	3	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H){5|C<3>}	106.8070	0.000	1	106.8070	0.000	1	106.8070	0.000	1	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	105.2143	0.565	3	104.8425	0.766	4	105.5905	0.767	28	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){5|C<3>}	103.7270	0.000	1	104.8425	0.766	4	105.5905	0.767	28	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.7381	0.923	19	105.7381	0.851	19	105.5905	0.767	28	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){3|C<3>}	105.6284	0.327	5	105.6284	0.107	5	105.5905	0.767	28	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	106.1690	0.000	1	105.1186	0.358	10	105.0742	0.286	13	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){1|C<4>,4|C<3>}	104.6135	0.302	4	105.1186	0.358	10	105.0742	0.286	13	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.3126	0.397	5	105.1186	0.358	10	105.0742	0.286	13	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<4>,3|C<3>}	104.7510	0.000	1	104.7510	0.000	1	105.0742	0.286	13	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	105.0135	0.289	2	105.0135	0.084	2	105.0742	0.286	13	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,3|C<3>}	110.4100	0.000	1	110.4100	0.000	1	105.9403	0.804	30	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.8677	0.324	3	105.8677	0.105	3	105.9403	0.804	30	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.7528	0.253	10	105.7794	0.110	22	105.9403	0.804	30	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.8015	0.395	12	105.7794	0.110	22	105.9403	0.804	30	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H){5|C<3>}	105.5330	0.000	1	105.5330	0.000	1	105.9403	0.804	30	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	105.7060	0.000	1	105.8393	0.021	3	105.9403	0.804	30	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	105.9060	0.120	2	105.8393	0.021	3	105.9403	0.804	30	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	107.8805	0.046	2	107.8805	0.002	2	107.9627	0.206	7	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|S<2>,2|N<2>}	107.3280	0.000	1	107.3280	0.000	1	107.9627	0.206	7	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	107.5550	0.000	1	107.5550	0.000	1	107.9627	0.206	7	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,2|N<2>}	108.2145	0.166	2	108.2145	0.028	2	107.9627	0.206	7	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	108.6660	0.000	1	108.6660	0.000	1	107.9627	0.206	7	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	104.8355	0.578	2	104.8355	0.334	2	105.1593	0.481	3	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<2>,1|H<1>,3|C<3>}	105.8070	0.000	1	105.8070	0.000	1	105.1593	0.481	3	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	104.3210	0.305	2	104.3210	0.093	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	105.2220	0.000	1	104.8580	0.265	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	104.4940	0.000	1	104.8580	0.265	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	105.1350	0.000	1	105.1350	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	106.3320	0.000	1	106.3320	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	106.8330	0.000	1	106.8330	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	104.9000	0.000	1	104.9000	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	104.6720	0.000	1	104.6720	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	105.0425	0.012	2	105.0425	0.000	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.2040	0.184	3	105.2040	0.034	3	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Br<1>,4|C<3>}	105.0810	0.000	1	105.0810	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	106.1210	0.451	2	106.1210	0.204	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.5330	0.000	1	105.5330	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.6983	0.249	3	105.6983	0.062	3	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	104.9980	0.000	1	104.9980	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N[5])(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	104.9070	0.000	1	104.9070	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|Cl<1>,1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|C<3>}	105.8480	0.384	3	105.8480	0.147	3	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){2|C<3>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|H<1>,2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|F<1>,2|C<3>,2|N<3>}	105.5906	0.013	5	105.5906	0.000	5	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<3>,2|F<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|F<1>,2|C<3>}	105.6980	0.143	2	105.6980	0.020	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	104.1450	0.000	1	104.1450	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	105.7370	0.219	2	105.7370	0.048	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	105.8400	0.000	1	105.4903	0.108	12	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	106.0380	0.000	1	105.4903	0.108	12	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	105.6570	0.000	1	105.4903	0.108	12	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	105.4557	0.210	7	105.4903	0.108	12	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,3|C<3>}	104.8250	0.000	1	105.4903	0.108	12	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|O<2>,3|C<3>}	105.3340	0.000	1	105.4903	0.108	12	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	105.0670	0.000	1	105.6537	1.332	122	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	105.7060	0.940	2	105.6537	1.332	122	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	104.9800	0.000	1	105.6537	1.332	122	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	105.6250	0.222	2	105.6537	1.332	122	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	106.0277	2.347	20	105.6537	1.332	122	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	105.5899	0.741	95	105.6537	1.332	122	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	105.4560	0.000	1	105.6537	1.332	122	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	104.4320	0.000	1	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	105.4515	0.275	4	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	105.1520	0.188	2	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	105.4581	0.854	103	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	105.2670	0.000	1	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	106.2720	0.341	2	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	104.8650	0.000	1	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	105.3793	0.236	9	105.4456	0.641	123	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	106.2240	0.000	1	106.2240	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H){2|C<3>,2|C<4>,2|H<1>}	105.3827	0.227	3	105.3827	0.052	3	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	105.4200	0.000	1	105.5700	0.090	5	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	105.2970	0.000	1	105.5700	0.090	5	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<2>}	106.0740	0.000	1	105.5700	0.090	5	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	105.5295	0.063	2	105.5700	0.090	5	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.0870	0.000	1	106.1148	2.216	8	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	107.5120	0.000	1	106.1148	2.216	8	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	105.0370	0.000	1	106.1148	2.216	8	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,4|C<3>}	106.2564	1.677	5	106.1148	2.216	8	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	106.6367	1.582	6	106.1029	2.396	22	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|F<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|F<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	106.2970	0.000	1	106.1029	2.396	22	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	105.4270	0.229	2	106.1029	2.396	22	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	105.9864	1.771	12	106.1029	2.396	22	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	105.4560	0.000	1	106.1029	2.396	22	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	104.6810	0.264	3	105.1474	0.124	42	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	104.9427	0.242	3	105.1474	0.124	42	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	104.9925	0.489	6	105.1474	0.124	42	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	105.2377	0.292	29	105.1474	0.124	42	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	105.4730	0.000	1	105.1474	0.124	42	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	105.1600	0.000	1	105.2587	0.126	9	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	105.2710	0.378	8	105.2587	0.126	9	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	105.2030	0.000	1	105.2030	0.000	1	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	105.3420	0.000	1	105.4761	0.123	19	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	104.8340	0.000	1	105.4761	0.123	19	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	105.5820	0.000	2	105.4761	0.123	19	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	105.4577	0.338	13	105.4761	0.123	19	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	105.8780	0.270	2	105.4761	0.123	19	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	105.1990	0.044	2	105.1990	0.002	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	104.6865	0.158	2	104.6865	0.025	2	105.5177	0.863	407	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){3|C<3>}	106.0745	0.043	2	106.0745	0.002	2	105.8038	0.076	9	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	105.6910	0.000	1	105.6847	0.069	6	105.8038	0.076	9	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	105.5420	0.000	1	105.6847	0.069	6	105.8038	0.076	9	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	105.7140	0.291	2	105.6847	0.069	6	105.8038	0.076	9	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	106.0660	0.000	1	105.6847	0.069	6	105.8038	0.076	9	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	105.3810	0.000	1	105.6847	0.069	6	105.8038	0.076	9	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	105.9770	0.000	1	105.9770	0.000	1	105.8038	0.076	9	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H){3|C<3>}	112.8320	0.000	1	112.8320	0.000	1	112.4927	0.130	3	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H){1|H<1>,2|C<3>}	112.3230	0.294	2	112.3230	0.087	2	112.4927	0.130	3	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.5803	0.291	3	106.5803	0.085	3	106.5803	0.085	3	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,1|O<1>}	104.4310	0.288	2	104.4310	0.083	2	105.2204	0.179	76	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H){1|O<1>,2|N<3>,3|C<4>}	104.8550	0.000	1	104.8550	0.000	1	105.2204	0.179	76	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<3>,1|O<1>,3|N<3>}	105.1530	0.000	1	105.1530	0.000	1	105.2204	0.179	76	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<3>,2|N<3>}	105.6390	0.000	1	105.6390	0.000	1	105.2204	0.179	76	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(H){1|O<1>,2|N<3>}	105.3920	0.000	1	105.3920	0.000	1	105.2204	0.179	76	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,2|N<3>}	104.3830	0.000	1	105.2407	0.170	70	105.2204	0.179	76	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,2|N<3>}	105.2532	0.402	69	105.2407	0.170	70	105.2204	0.179	76	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	109.2655	0.094	2	109.2655	0.009	2	109.4487	0.092	11	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.7250	0.047	2	109.4894	0.104	9	109.4487	0.092	11	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.2120	0.218	4	109.4894	0.104	9	109.4487	0.092	11	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.9640	0.000	1	109.4894	0.104	9	109.4487	0.092	11	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.5715	0.169	2	109.4894	0.104	9	109.4487	0.092	11	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	103.8130	0.000	1	103.8130	0.000	1	103.8130	0.000	1	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	105.3620	0.000	1	105.3620	0.000	1	104.8955	0.435	2	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	104.4290	0.000	1	104.4290	0.000	1	104.8955	0.435	2	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	106.3870	0.000	1	106.3870	0.000	1	106.3870	0.000	1	105.6503	1.344	602	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|H<1>,2|C<3>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC){1|H<1>,2|C<3>}	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	103.3235	0.349	2	103.3235	0.122	2	103.3235	0.122	2	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	106.8090	0.000	1	106.8090	0.000	1	106.9695	0.052	2	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.1300	0.000	1	107.1300	0.000	1	106.9695	0.052	2	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	104.3120	0.000	1	104.3120	0.000	1	104.3120	0.000	1	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a]){3|H<1>,4|C<3>}	103.8450	0.000	1	103.8450	0.000	1	103.8047	0.172	7	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	104.2055	0.206	2	104.2055	0.042	2	103.8047	0.172	7	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,2|N<2>,3|C<3>}	103.0690	0.000	1	103.0690	0.000	1	103.8047	0.172	7	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	103.5290	0.000	1	103.5290	0.000	1	103.8047	0.172	7	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	103.8895	0.192	2	103.8895	0.037	2	103.8047	0.172	7	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]){2|H<1>,5|C<3>}	104.3090	0.000	1	104.3090	0.000	1	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	104.6430	0.000	1	104.0794	0.112	8	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	104.3080	0.000	1	104.0794	0.112	8	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	104.0055	0.419	2	104.0794	0.112	8	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	104.1340	0.000	1	104.0794	0.112	8	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	103.9240	0.000	1	104.0794	0.112	8	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	103.8075	0.223	2	104.0794	0.112	8	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	103.7320	0.000	1	104.1105	0.287	2	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	104.4890	0.000	1	104.1105	0.287	2	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	104.4220	0.218	2	103.9077	0.224	6	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	103.6505	0.306	4	103.9077	0.224	6	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|I<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|I<1>,4|C<3>}	104.2010	0.000	1	104.2010	0.000	1	104.0451	0.142	18	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	103.8950	0.000	1	103.8950	0.000	1	103.8950	0.000	1	104.2032	0.763	33	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	104.2070	0.163	2	104.2070	0.026	2	104.2070	0.026	2	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	105.1170	0.071	2	105.1170	0.005	2	105.1347	0.073	73	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	105.1160	0.232	4	105.1160	0.054	4	105.1347	0.073	73	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	105.0968	0.103	6	105.1442	0.074	66	105.1347	0.073	73	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	105.1489	0.283	60	105.1442	0.074	66	105.1347	0.073	73	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	104.6210	0.000	1	104.6210	0.000	1	105.1347	0.073	73	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	106.9760	0.000	1	106.9760	0.000	1	106.9760	0.000	1	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	104.4672	0.204	4	104.4672	0.042	4	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	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>}	105.3960	0.021	2	105.3960	0.000	2	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,2|C<3>}	105.7075	0.228	2	105.7075	0.052	2	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN){1|H<1>,2|C<3>}	104.9435	0.045	2	104.9435	0.002	2	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN){1|H<1>,2|C<3>}	105.0065	0.090	2	105.0065	0.008	2	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|H<1>,2|C<3>}	105.6690	0.000	1	105.6690	0.000	1	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	104.9885	0.135	2	104.9885	0.018	2	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|H<1>,2|C<3>}	104.8680	0.000	1	104.8680	0.000	1	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){1|H<1>,2|C<3>}	104.7780	0.000	1	104.7780	0.000	1	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|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>}	105.3630	0.000	1	105.3630	0.000	1	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN){1|H<1>,2|C<3>}	105.1380	0.354	2	105.1380	0.125	2	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO){1|H<1>,2|C<3>}	104.4680	0.000	1	104.4680	0.000	1	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC){1|C<4>,1|H<1>,3|C<3>}	105.2170	0.000	1	105.2170	0.000	1	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CNN){1|H<1>,2|C<3>}	105.5730	0.000	1	105.5730	0.000	1	105.0507	0.185	23	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	105.5960	0.068	2	105.5960	0.005	2	105.0880	0.142	7	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	105.0125	0.235	2	105.0125	0.055	2	105.0880	0.142	7	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H){1|B<4>,2|H<1>,4|C<3>}	104.8475	0.012	2	104.8475	0.000	2	105.0880	0.142	7	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	104.7040	0.000	1	104.7040	0.000	1	105.0880	0.142	7	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH){1|H<1>,1|N<3>,3|C<3>}	104.8230	0.000	1	104.8230	0.000	1	104.8230	0.000	1	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2){1|H<1>,2|C<3>}	105.7848	0.138	6	105.7848	0.019	6	105.7848	0.019	6	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[3]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[3]O){1|H<1>,2|C<3>}	105.7103	0.088	4	105.7103	0.008	4	105.8022	0.207	15	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[4]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[4]O){1|H<1>,2|C<3>}	105.9780	0.562	8	105.9780	0.316	8	105.8022	0.207	15	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CNO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CNO){1|H<1>,2|C<3>}	105.4560	0.116	3	105.4560	0.013	3	105.8022	0.207	15	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.4870	0.000	1	106.4870	0.000	1	106.4720	0.000	2	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO){1|C<3>,1|N<2>,2|H<1>}	106.4570	0.000	1	106.4570	0.000	1	106.4720	0.000	2	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	107.8390	0.164	2	107.8390	0.027	2	108.2183	0.661	6	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.4080	0.974	4	108.4080	0.949	4	108.2183	0.661	6	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<8>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6]){2|H<1>,4|C<3>}	104.2880	0.000	1	104.2880	0.000	1	104.2880	0.000	1	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	105.4700	0.000	1	105.4700	0.000	1	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]){1|C<4>,2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|F<1>,4|C<3>}	105.3070	0.000	1	105.3070	0.000	1	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	105.4870	0.000	1	105.4774	0.252	47	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	105.3660	0.000	1	105.4774	0.252	47	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	105.6008	0.166	6	105.4774	0.252	47	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<3>,6|C<3>}	104.5750	0.000	1	105.4774	0.252	47	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	105.6830	0.537	2	105.4774	0.252	47	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	105.4733	0.539	36	105.4774	0.252	47	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	105.1908	0.241	5	105.1817	0.047	6	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	105.1360	0.000	1	105.1817	0.047	6	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	105.4010	0.000	1	105.1725	0.104	2	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	104.9440	0.000	1	105.1725	0.104	2	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	104.7700	0.000	1	104.7700	0.000	1	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	104.7260	0.000	1	104.8804	0.217	19	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	105.0740	0.000	1	104.8804	0.217	19	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	104.3760	0.000	1	104.8804	0.217	19	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	104.8170	0.000	2	104.8804	0.217	19	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.1560	0.000	1	104.8804	0.217	19	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	104.9048	0.540	13	104.8804	0.217	19	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	104.9685	0.035	2	104.9685	0.001	2	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	104.9930	0.000	1	104.9930	0.000	1	105.2760	0.270	80	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	105.6570	0.000	1	105.6570	0.000	1	105.2928	0.044	6	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){1|H<1>,6|C<3>}	105.1445	0.177	2	105.1445	0.032	2	105.2928	0.044	6	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,5|C<3>}	105.3065	0.012	2	105.3065	0.000	2	105.2928	0.044	6	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	105.1980	0.000	1	105.1980	0.000	1	105.2928	0.044	6	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,5|C<3>}	103.7130	0.157	2	103.7130	0.025	2	103.7130	0.025	2	105.3336	0.561	227	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]){1|C<4>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	104.8700	0.209	2	104.8700	0.044	2	104.8700	0.044	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	105.0340	0.000	1	105.0340	0.000	1	105.0340	0.000	1	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	105.1220	0.000	1	105.1220	0.000	1	105.1544	0.091	18	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	105.1794	0.405	8	105.1794	0.164	8	105.1544	0.091	18	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	105.0520	0.093	2	105.0520	0.009	2	105.1544	0.091	18	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	105.1065	0.094	2	105.1065	0.009	2	105.1544	0.091	18	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	105.2465	0.297	4	105.2465	0.088	4	105.1544	0.091	18	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	104.9190	0.000	1	104.9190	0.000	1	105.1544	0.091	18	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,1|N<2>,4|C<3>}	107.9895	0.733	2	107.9895	0.538	2	107.9895	0.538	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	106.4380	0.000	1	106.4380	0.000	1	107.6723	1.157	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	108.2895	0.170	2	108.2895	0.029	2	107.6723	1.157	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	105.5440	0.000	1	105.5440	0.000	1	105.5440	0.000	1	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	105.5465	0.411	2	105.5465	0.169	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){3|C<3>}	104.5402	0.457	6	104.5402	0.209	6	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){2|Cl<1>,1|C<3>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	104.5760	0.000	1	104.5760	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	105.7595	0.363	4	105.7595	0.132	4	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	105.3810	0.344	3	105.3810	0.118	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	105.4065	0.019	2	105.4065	0.000	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	105.8890	0.000	1	105.8890	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	105.1620	0.000	1	105.1620	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	105.2020	0.000	1	105.2020	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,4|C<3>}	105.5970	0.000	1	105.5975	0.000	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	105.5980	0.000	1	105.5975	0.000	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH){1|H<1>,1|N<2>,3|C<3>}	105.6500	0.000	1	105.6500	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	105.4120	0.000	1	105.4120	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	106.0120	0.636	2	105.4612	0.388	5	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	105.0940	0.261	3	105.4612	0.388	5	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	105.9070	0.000	1	105.8357	0.025	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,4|C<3>}	105.8000	0.206	2	105.8357	0.025	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	106.0215	0.029	2	106.0327	0.001	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	106.0550	0.000	1	106.0327	0.001	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,4|C<3>}	105.3505	0.418	2	105.3505	0.175	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	105.3690	0.006	2	105.7846	0.128	37	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	105.7463	0.147	16	105.7846	0.128	37	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	106.4428	0.493	4	105.7846	0.128	37	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	105.6620	0.311	13	105.7846	0.128	37	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	105.9875	0.091	2	105.7846	0.128	37	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	105.4110	0.000	1	105.4110	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	105.4660	0.200	5	105.4660	0.040	5	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	105.5860	0.000	1	105.5860	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	105.4670	0.000	1	105.4670	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	105.9170	0.060	3	105.7136	0.246	48	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	105.6940	0.000	1	105.7136	0.246	48	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	105.3520	0.000	1	105.7136	0.246	48	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	105.7878	0.556	10	105.7136	0.246	48	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	105.6797	0.521	32	105.7136	0.246	48	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	105.8290	0.000	1	105.7136	0.246	48	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	105.8273	0.111	6	105.7571	0.057	22	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,2|C<3>,2|N<2>}	105.7430	0.274	2	105.7571	0.057	22	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	105.7290	0.279	14	105.7571	0.057	22	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH){1|H<1>,4|C<3>}	105.3850	0.000	1	105.3850	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	105.1600	0.000	1	105.6788	0.224	30	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	105.7413	0.528	22	105.6788	0.224	30	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	105.5015	0.008	2	105.6788	0.224	30	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	105.6340	0.000	1	105.6788	0.224	30	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	105.6800	0.018	2	105.6788	0.224	30	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	105.4485	0.347	2	105.6788	0.224	30	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,2|C<3>}	105.2960	0.000	1	105.2960	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	105.3526	0.286	20	105.4599	0.147	25	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	105.3470	0.000	1	105.4599	0.147	25	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	106.1717	0.320	3	105.4599	0.147	25	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	105.5840	0.000	1	105.4599	0.147	25	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	104.5380	0.000	1	104.5380	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	105.6405	0.346	10	105.6254	0.100	12	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	105.5500	0.095	2	105.6254	0.100	12	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	105.3230	0.000	1	105.3230	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	105.7470	0.000	1	105.7470	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH){1|H<1>,4|C<3>}	105.4180	0.000	1	105.4180	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	105.4642	0.123	4	105.5095	0.016	6	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	105.6000	0.089	2	105.5095	0.016	6	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	105.4333	0.388	3	105.4207	0.101	4	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	105.3830	0.000	1	105.4207	0.101	4	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH){1|H<1>,2|C<3>}	104.9670	0.000	1	104.9670	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	105.1690	0.000	1	105.1690	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	105.1080	0.361	4	105.2316	0.078	39	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	105.3740	0.375	3	105.2316	0.078	39	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	105.6820	0.000	1	105.2316	0.078	39	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	105.2019	0.241	30	105.2316	0.078	39	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	105.7410	0.000	1	105.2316	0.078	39	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	105.2790	0.000	1	105.2790	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	105.4770	0.035	2	105.4770	0.001	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	105.3153	0.244	3	105.3153	0.059	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	104.9330	0.000	1	104.9330	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	105.5710	0.000	1	105.5710	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	105.2066	0.188	5	105.3891	0.170	36	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	105.4185	0.433	31	105.3891	0.170	36	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	105.1630	0.000	1	105.3967	0.201	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	105.5135	0.566	2	105.3967	0.201	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	105.5190	0.000	1	105.5190	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	104.8530	0.000	1	104.8530	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	105.1000	0.318	5	105.1000	0.101	5	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	105.7540	0.000	1	105.7540	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH){1|H<1>,2|C<3>}	105.1520	0.000	1	105.1520	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	105.6695	0.342	4	105.5423	0.131	6	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	105.2880	0.331	2	105.5423	0.131	6	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	104.7150	0.000	1	105.6095	1.600	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	106.5040	0.000	1	105.6095	1.600	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH){1|H<1>,2|C<3>,2|C<4>}	106.1065	0.049	2	106.1065	0.002	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,2|C<3>}	105.2840	0.000	1	105.2840	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	105.5940	0.000	1	105.5797	0.061	7	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	105.4828	0.157	5	105.5797	0.061	7	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	106.0500	0.000	1	105.5797	0.061	7	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH){1|H<1>,2|C<3>}	106.1660	0.000	1	106.1660	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	105.4665	2.385	2	105.4665	5.689	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3){1|H<1>,2|C<3>}	105.2810	0.000	1	105.2810	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH){1|H<1>,2|C<3>}	105.2770	0.000	1	105.2770	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Se<2>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3){1|H<1>,2|C<3>}	106.0160	0.701	6	106.0160	0.491	6	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH){1|H<1>,2|C<3>}	105.3530	0.233	6	105.3530	0.054	6	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	105.1320	0.190	2	105.1320	0.036	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	105.0995	0.443	2	105.0995	0.197	2	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	105.2597	0.123	3	105.2597	0.015	3	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<2>,2|C<3>}	105.4540	0.000	1	105.4540	0.000	1	105.5239	0.214	376	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO){1|H<1>,2|C<3>}	105.6090	0.000	1	105.6090	0.000	1	105.6090	0.000	1	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){1|H<1>,4|C<3>}	104.9200	0.000	1	104.9200	0.000	1	104.3549	0.362	7	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	104.0300	0.000	1	103.7230	0.188	2	104.3549	0.362	7	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	103.4160	0.000	1	103.7230	0.188	2	104.3549	0.362	7	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	104.3050	0.000	1	104.3050	0.000	1	104.3549	0.362	7	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	105.2510	0.000	1	104.8425	0.334	2	104.3549	0.362	7	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	104.4340	0.000	1	104.8425	0.334	2	104.3549	0.362	7	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	104.1280	0.000	1	104.1280	0.000	1	104.3549	0.362	7	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	106.9800	0.000	1	106.9800	0.000	1	107.3170	0.085	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3){1|H<1>,2|C<3>}	107.4855	0.009	2	107.4855	0.000	2	107.3170	0.085	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3){1|C<4>,2|C<3>}	105.0390	0.000	1	105.0390	0.000	1	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Br<1>,2|C<3>}	105.9130	0.000	1	105.9130	0.000	1	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	105.3670	0.000	1	105.3670	0.000	1	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Cl<1>,2|C<3>}	106.0480	0.000	1	106.0480	0.000	1	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	105.9420	0.000	1	105.9832	0.138	4	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	106.0455	0.630	2	105.9832	0.138	4	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	105.9000	0.000	1	105.9832	0.138	4	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	105.9440	0.000	1	105.8480	0.018	2	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	105.7520	0.000	1	105.8480	0.018	2	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH){1|H<1>,2|C<3>}	105.2475	0.715	2	105.2475	0.511	2	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	105.9790	0.000	1	105.9790	0.000	1	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3){1|H<1>,2|C<3>}	106.0790	0.000	1	106.0790	0.000	1	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	106.0797	0.363	3	106.0797	0.131	3	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH){1|H<1>,2|C<3>}	105.8830	0.529	3	105.8830	0.280	3	105.8218	0.195	20	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3){1|H<1>,2|C<3>}	112.5810	0.000	1	112.5810	0.000	1	112.5274	0.182	14	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|Cl<1>,2|C<3>}	111.9920	0.000	1	111.9920	0.000	1	112.5274	0.182	14	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	112.7388	0.409	6	112.5675	0.187	12	112.5274	0.182	14	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	112.3962	0.417	6	112.5675	0.187	12	112.5274	0.182	14	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.1630	0.102	2	107.1630	0.010	2	107.1140	0.095	9	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.0330	0.000	1	107.0330	0.000	1	107.1140	0.095	9	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.8310	0.000	1	106.8310	0.000	1	107.1140	0.095	9	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.0815	0.052	2	107.0815	0.003	2	107.1140	0.095	9	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|N<2>,2|H<1>}	106.6110	0.000	1	106.6110	0.000	1	107.1140	0.095	9	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|N<2>}	107.3640	0.000	1	107.3640	0.000	1	107.1140	0.095	9	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	107.6980	0.000	1	107.6980	0.000	1	107.1140	0.095	9	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|C<3>,1|O<1>,1|S<2>,2|N<3>}	105.3580	0.000	1	105.3580	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	105.4100	0.000	1	105.4100	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	105.2680	0.329	3	105.2680	0.108	3	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<4>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	104.9080	0.000	1	104.9080	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<1>,2|N<3>}	105.1380	0.000	1	105.1380	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	104.3100	0.000	1	104.9628	0.581	5	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	105.1260	0.773	4	104.9628	0.581	5	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	104.7660	0.171	2	104.7660	0.029	2	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	104.7285	0.816	4	104.7285	0.665	4	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	104.9030	0.000	1	104.9030	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	105.3279	0.341	13	105.5537	0.506	112	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	105.5833	0.743	99	105.5537	0.506	112	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH){1|O<1>,2|N<3>}	104.4180	0.000	1	104.4180	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|I<1>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	105.4270	0.000	1	105.4270	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	104.8715	0.071	2	104.8715	0.005	2	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH){1|O<1>,2|N<3>}	104.7220	0.000	1	104.7220	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|Pd<4>,1|C<4>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH){1|O<1>,2|N<3>}	105.7110	0.000	1	105.7110	0.000	1	105.4512	0.510	137	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	105.3350	0.000	1	105.3350	0.000	1	106.0360	0.983	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	106.7370	0.000	1	106.7370	0.000	1	106.0360	0.983	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<2>,4|C<3>}	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H){1|H<1>,4|C<4>,5|C<3>}	105.6550	0.000	1	105.6550	0.000	1	105.5255	0.034	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|S<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	105.3960	0.000	1	105.3960	0.000	1	105.5255	0.034	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	105.4775	0.293	2	105.4775	0.086	2	105.5453	0.057	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	105.6810	0.000	1	105.6810	0.000	1	105.5453	0.057	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:P[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|C<3>,2|P<4>}	105.8035	0.494	4	105.8035	0.244	4	105.8035	0.244	4	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiC3){1|H<1>,2|C<3>}	106.8650	0.000	1	106.8650	0.000	1	106.7153	0.048	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiN[5a]CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiN[5a]CC){1|H<1>,2|C<3>}	106.6405	0.251	2	106.6405	0.063	2	106.7153	0.048	3	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:O[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.4260	0.000	1	106.2370	0.071	2	106.2370	0.071	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:O[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.0480	0.000	1	106.2370	0.071	2	106.2370	0.071	2	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	105.0920	0.129	5	105.0920	0.017	5	105.0435	0.027	6	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	104.8010	0.000	1	104.8010	0.000	1	105.0435	0.027	6	105.7163	1.504	619	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	104.0310	0.000	1	104.0310	0.000	1	104.2113	0.090	3	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	104.3015	0.363	2	104.3015	0.132	2	104.2113	0.090	3	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	104.0200	0.000	1	104.0200	0.000	1	104.0768	0.059	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	103.7380	0.000	1	103.7380	0.000	1	104.0768	0.059	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	104.0740	0.000	1	104.0740	0.000	1	104.0768	0.059	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.2760	0.199	2	104.2760	0.040	2	104.0768	0.059	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	104.3800	0.000	1	104.3165	0.008	2	104.3768	0.065	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	104.2530	0.000	1	104.3165	0.008	2	104.3768	0.065	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	104.3030	0.000	1	104.3030	0.000	1	104.3768	0.065	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,3|C<3>,3|H<1>}	104.8060	0.000	1	104.4740	0.220	2	104.3768	0.065	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	104.1420	0.000	1	104.4740	0.220	2	104.3768	0.065	5	104.2232	0.075	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2){2|C<4>,9|C<3>}	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N){1|O<1>,2|N<3>}	104.3530	0.000	1	104.3530	0.000	1	104.3530	0.000	1	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[3x6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H){2|C<3>,3|C<4>,7|H<1>}	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	105.3050	0.000	1	105.3050	0.000	1	105.5640	0.041	4	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.6250	0.000	1	105.6250	0.000	1	105.5640	0.041	4	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.5330	0.000	1	105.5330	0.000	1	105.5640	0.041	4	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	105.7930	0.000	1	105.7930	0.000	1	105.5640	0.041	4	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]2N[5a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]2N[5a])(C[5a]O[5a]O){1|H<1>,2|C<3>}	106.4635	0.288	2	106.4635	0.083	2	106.5360	0.060	5	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]N[5a]2)(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]N[5a]2)(C[5a]O[5a]O){1|H<1>,2|C<3>}	106.5843	0.266	3	106.5843	0.071	3	106.5360	0.060	5	106.1209	1.366	12	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	5:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	Si[5,6]-5:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<5>,1|C<3>,1|O<1>,2|H<1>}	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){1|H<1>,8|C<3>}	106.6620	0.117	2	106.6620	0.014	2	106.6620	0.014	2	106.6620	0.014	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	6:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<6>,1|C<3>,1|O<1>,2|H<1>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	106.7575	1.389	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	6:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,3|H<1>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<6>,2|C<3>,4|B<6>,6|H<1>}	105.9240	0.000	1	105.9240	0.000	1	105.9240	0.000	1	106.7575	1.389	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H){1|H<1>,1|S<2>,2|C<3>}	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	106.8830	0.000	1	106.8830	0.000	1	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	106.0430	0.000	1	106.7510	0.376	3	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	107.1050	0.025	2	106.7510	0.376	3	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	107.4630	0.000	1	107.4630	0.000	1	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){2|C<3>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|F<1>,3|C<3>}	107.2487	0.289	3	107.2487	0.084	3	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|C<3>,1|H<1>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|F<1>,2|C<3>}	107.0026	0.216	7	107.0026	0.047	7	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.7460	0.000	1	106.7460	0.000	1	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	106.4703	0.503	3	105.9117	2.066	10	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	103.5200	1.604	2	105.9117	2.066	10	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	107.1115	0.248	2	105.9117	2.066	10	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.1477	0.134	3	105.9117	2.066	10	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Cl<1>,1|H<1>,2|C<3>}	106.2850	0.000	1	106.2850	0.000	1	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	106.2670	0.074	2	106.3920	0.050	3	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	106.6420	0.000	1	106.3920	0.050	3	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	106.8860	0.745	4	106.8860	0.555	4	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	107.2120	0.000	1	107.2120	0.000	1	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	106.4115	0.095	2	106.4115	0.009	2	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	107.1010	0.000	1	107.1010	0.000	1	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H){1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.6080	0.000	1	106.6080	0.000	1	106.6147	0.812	39	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	106.4895	0.374	2	106.5438	0.054	4	106.5438	0.054	4	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	106.5980	0.105	2	106.5438	0.054	4	106.5438	0.054	4	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H){1|O<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|C<3>}	107.7355	0.016	2	107.7355	0.000	2	107.7355	0.000	2	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	105.9650	0.000	1	105.9650	0.000	1	106.7092	0.426	4	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.3830	0.000	1	106.7385	0.253	2	106.7092	0.426	4	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	107.0940	0.000	1	106.7385	0.253	2	106.7092	0.426	4	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	107.3950	0.000	1	107.3950	0.000	1	106.7092	0.426	4	106.6701	0.712	50	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Br<1>,1|H<1>,2|C<3>}	106.2285	0.100	2	106.2285	0.010	2	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	105.7130	0.000	1	105.7130	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	105.6510	0.000	1	105.6510	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|C<4>,1|H<1>,2|C<3>}	105.9225	0.202	2	105.9225	0.041	2	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Cl<1>,1|H<1>,2|C<3>}	105.9190	0.000	1	105.9190	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	105.7400	0.000	1	105.7400	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN){2|C<3>,2|H<1>}	105.7850	0.000	1	105.7850	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	106.2780	0.000	1	105.7738	0.117	6	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	105.7200	0.000	1	105.7738	0.117	6	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	105.6612	0.305	4	105.7738	0.117	6	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){2|C<3>,2|H<1>}	105.5010	0.000	1	105.5010	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS){2|C<3>,2|H<1>}	106.1760	0.000	1	106.1760	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CPdN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CPdN){2|C<3>,2|H<1>}	105.8080	0.000	1	105.8080	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN){2|C<3>,2|H<1>}	105.1750	0.000	1	105.1750	0.000	1	105.8112	0.095	19	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO){2|C<3>,2|H<1>}	104.1640	0.000	1	104.1640	0.000	1	104.1640	0.000	1	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH){1|H<1>,1|O<1>,2|C<3>}	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	105.8950	0.000	1	105.8950	0.000	1	105.8950	0.000	1	106.1124	3.310	22	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	108.3242	0.341	11	108.3242	0.117	11	108.0678	0.501	17	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){1|C<3>,1|C<4>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]F){1|B<4>,1|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	107.5977	0.980	6	107.5977	0.961	6	108.0678	0.501	17	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	106.5880	0.000	1	106.5880	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|H<1>,2|C<3>}	106.2660	0.358	2	106.2660	0.128	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	107.1000	0.000	1	107.1000	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	106.7120	0.000	1	106.7120	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	106.9745	0.490	2	106.9745	0.240	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	107.2020	0.782	3	107.1112	0.440	4	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	106.8390	0.000	1	107.1112	0.440	4	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	106.3190	0.000	1	106.1640	0.048	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	106.0090	0.000	1	106.1640	0.048	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	106.6807	0.305	15	106.6807	0.093	15	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	106.6310	0.000	1	106.7306	0.098	10	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	106.9120	0.204	2	106.7306	0.098	10	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	106.7690	0.291	2	106.7306	0.098	10	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	106.6626	0.403	5	106.7306	0.098	10	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	106.9863	0.503	3	106.9848	0.169	4	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	106.9800	0.000	1	106.9848	0.169	4	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	106.9158	0.201	4	106.8462	0.055	5	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	106.5680	0.000	1	106.8462	0.055	5	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	106.9970	0.000	1	106.9970	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	106.7650	0.000	1	106.7650	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	106.7690	0.321	5	106.6979	0.069	9	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	106.6090	0.167	4	106.6979	0.069	9	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){2|C<3>,2|H<1>}	106.5230	0.000	1	106.5230	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	106.9835	0.025	2	106.9835	0.001	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	106.5015	0.136	2	106.4573	0.015	3	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	106.3690	0.000	1	106.4573	0.015	3	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	106.7180	0.095	2	106.7180	0.009	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	106.6850	0.000	1	106.5395	0.042	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	106.3940	0.000	1	106.5395	0.042	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	106.9970	0.000	1	106.9970	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	106.7535	0.035	2	106.7535	0.001	2	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|O<2>,3|C<3>}	106.9260	0.000	1	106.9260	0.000	1	106.7388	0.116	72	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	105.6270	0.000	1	105.7145	0.015	2	105.6810	0.011	3	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	105.8020	0.000	1	105.7145	0.015	2	105.6810	0.011	3	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	105.6140	0.000	1	105.6140	0.000	1	105.6810	0.011	3	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	106.2090	0.000	1	106.2090	0.000	1	106.8715	0.878	2	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	107.5340	0.000	1	107.5340	0.000	1	106.8715	0.878	2	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.5100	0.000	1	107.5100	0.000	1	107.5825	0.011	2	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6550	0.000	1	107.6550	0.000	1	107.5825	0.011	2	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	109.5325	0.086	2	109.5325	0.007	2	109.5325	0.007	2	107.0437	0.702	99	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a]){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|C<4>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<2>,2|C<3>}	111.3220	0.000	1	111.3220	0.000	1	110.5465	1.203	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	109.7710	0.000	1	109.7710	0.000	1	110.5465	1.203	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.9630	0.222	2	109.7825	0.066	4	109.7825	0.066	4	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.6020	0.133	2	109.7825	0.066	4	109.7825	0.066	4	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5])	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]H){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	109.2370	0.236	2	109.2370	0.056	2	109.2370	0.056	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){2|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.5700	0.000	1	109.4020	0.023	3	109.4020	0.023	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.3180	0.062	2	109.4020	0.023	3	109.4020	0.023	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.1110	0.064	2	109.1110	0.004	2	109.1110	0.004	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[5a]C[5a]H){1|C<4>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H){4|C<3>}	107.4323	0.158	3	107.4323	0.025	3	107.4323	0.025	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	110.3470	0.215	2	110.3470	0.046	2	110.4223	0.153	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	110.4348	0.419	12	110.4348	0.175	12	110.4223	0.153	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	109.4340	0.000	1	109.4340	0.000	1	109.9406	0.527	23	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	108.2090	0.000	1	108.2090	0.000	1	109.9406	0.527	23	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,1|N<3>,4|C<3>}	110.0309	0.669	19	110.0471	0.405	21	109.9406	0.527	23	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	110.2015	0.062	2	110.0471	0.405	21	109.9406	0.527	23	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	107.9000	0.000	1	107.9000	0.000	1	109.2659	0.378	9	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H){1|C<4>,2|N<3>,3|C<3>}	109.4366	0.364	8	109.4366	0.132	8	109.2659	0.378	9	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H){3|C<3>,4|C<4>}	107.6430	0.601	2	107.6430	0.361	2	107.7857	0.242	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.0710	0.000	1	108.0710	0.000	1	107.7857	0.242	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	109.1970	0.000	1	108.8233	0.203	8	109.2111	0.329	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.0750	0.073	4	108.8233	0.203	8	109.2111	0.329	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.1125	0.049	2	108.8233	0.203	8	109.2111	0.329	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.8640	0.000	1	108.8233	0.203	8	109.2111	0.329	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	110.1700	0.000	1	109.7835	0.135	4	109.2111	0.329	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	109.6547	0.321	3	109.7835	0.135	4	109.2111	0.329	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	109.4820	0.151	3	109.4820	0.023	3	109.2111	0.329	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(C[5a,6a]C[6,6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.4160	0.107	2	109.4160	0.012	2	109.4160	0.012	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	107.0900	0.000	1	107.0900	0.000	1	107.0900	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.4740	0.608	2	109.4740	0.370	2	109.4740	0.370	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	107.5975	0.390	2	108.1480	0.510	4	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.6985	0.407	2	108.1480	0.510	4	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.0281	0.150	10	109.0786	0.034	14	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.4880	0.000	1	109.0786	0.034	14	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.1107	0.148	3	109.0786	0.034	14	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]Cl){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.5980	0.000	1	109.5980	0.000	1	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.6800	0.956	2	108.6800	0.914	2	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N[6]){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.6910	0.000	1	109.6910	0.000	1	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.1020	0.000	1	109.4317	0.208	4	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.5417	0.489	3	109.4317	0.208	4	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	110.2220	0.031	2	110.2220	0.001	2	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	110.0810	0.000	1	110.0810	0.000	1	109.1239	0.428	29	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	108.8835	0.153	2	108.8835	0.024	2	108.8835	0.024	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5,6a]C[5,6a]O[5])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5,6a]C[5,6a]O[5])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<3>,4|C<4>}	108.0220	0.000	1	108.0220	0.000	1	108.0220	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	106.8600	0.058	2	106.8600	0.003	2	107.0160	0.082	4	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.1720	0.382	2	107.1720	0.146	2	107.0160	0.082	4	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,1|H<1>,4|C<3>}	109.0925	1.008	2	108.7620	0.534	4	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.4315	0.387	2	108.7620	0.534	4	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,5|C<3>}	107.8005	0.128	2	107.8005	0.016	2	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.5210	0.000	1	108.5210	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.2610	0.000	1	108.2610	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.0710	0.000	1	108.0000	0.015	3	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	107.9645	0.152	2	108.0000	0.015	3	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	108.8440	0.000	1	108.8440	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.6550	0.000	1	108.4366	0.041	5	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,5|C<3>}	108.3820	0.187	4	108.4366	0.041	5	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	109.5120	0.045	2	109.5120	0.002	2	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.4410	0.000	1	108.4410	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.5937	0.131	3	108.5468	0.357	6	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.5000	0.932	3	108.5468	0.357	6	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	107.5120	0.000	1	107.5120	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	108.9723	0.115	6	108.8341	0.073	10	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	108.6268	0.318	4	108.8341	0.073	10	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	110.0400	0.000	1	110.0400	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	109.2733	0.109	4	109.2733	0.012	4	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	109.1810	0.229	2	109.1810	0.052	2	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|P<3>,4|C<3>}	108.9170	0.000	1	108.9170	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	107.8250	0.000	1	107.8250	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.3440	0.000	1	109.3440	0.000	1	108.6944	0.347	47	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a]N[6a]){1|H<1>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	107.4800	0.000	1	107.4800	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	107.4640	0.000	1	107.4640	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	106.6830	0.000	1	106.6830	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.5665	0.084	2	107.5665	0.007	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,5|C<3>}	108.1320	0.000	1	108.1320	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,5|C<3>}	107.6190	0.000	1	107.6190	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<4>,2|C<3>}	108.1680	0.000	1	108.1680	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	106.6660	0.000	1	106.6660	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	107.5450	0.000	1	107.5450	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	107.6630	0.000	1	107.6077	0.350	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	106.9130	0.000	1	107.6077	0.350	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	107.5040	0.000	1	107.6077	0.350	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	108.3510	0.000	1	107.6077	0.350	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	106.8847	0.267	3	106.8847	0.071	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,3|C<3>}	108.3970	0.000	1	108.3970	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){3|C<3>,4|C<4>}	106.8220	0.223	3	106.8220	0.050	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	107.9140	0.000	1	107.9140	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	107.9030	0.000	1	107.9030	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.4900	0.201	2	107.4900	0.040	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.2610	0.000	1	107.4112	0.167	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4487	0.462	4	107.4112	0.167	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|S<2>,3|C<3>}	107.6420	0.000	1	107.6420	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Cl<1>,1|C<4>,2|C<3>}	107.9830	0.000	1	107.9830	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|Cl<1>,5|C<3>}	108.6280	0.000	1	108.6280	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	108.6135	0.016	2	108.6135	0.000	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|F<1>,2|C<3>}	108.2230	0.000	1	108.2230	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|F<1>,2|C<3>}	108.8810	0.000	1	108.8810	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.0390	0.000	1	107.5403	0.125	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.3740	0.148	3	107.5403	0.125	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4110	0.000	1	107.7023	0.076	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.0750	0.000	1	107.7023	0.076	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6740	0.000	1	107.7023	0.076	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6490	0.000	1	107.7023	0.076	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.0155	0.016	2	107.0930	0.141	7	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.1240	0.455	5	107.0930	0.141	7	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,6|C<3>}	107.8312	0.538	4	107.8312	0.290	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.3156	0.222	8	107.3156	0.049	8	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.7730	0.220	4	107.5553	0.299	14	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.0550	0.000	1	107.5553	0.299	14	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.1230	0.000	1	107.5553	0.299	14	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.3150	0.000	1	107.5553	0.299	14	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4677	0.302	4	107.5553	0.299	14	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9305	1.570	2	107.5553	0.299	14	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4570	0.000	1	107.5553	0.299	14	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|Br<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>,2|C<3>}	107.4960	0.000	1	107.4960	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8720	0.000	1	107.8860	0.000	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9000	0.000	1	107.8860	0.000	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.4680	0.270	2	108.4680	0.073	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9304	0.260	5	107.9885	0.074	6	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.2790	0.000	1	107.9885	0.074	6	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.5940	0.000	1	107.3740	0.456	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]F){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.7640	0.010	2	107.3740	0.456	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.7433	0.194	3	107.6844	0.113	7	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	107.9610	0.124	2	107.6844	0.113	7	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,4|C<3>}	107.3195	0.395	2	107.6844	0.113	7	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	107.9300	0.000	1	107.9300	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.3420	0.000	1	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.1370	0.153	2	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.2425	0.137	4	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.0843	0.078	3	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.4273	0.168	8	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.3055	0.415	48	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.2820	0.000	1	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.0215	0.151	2	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.1010	0.000	1	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.5354	0.474	11	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.6265	0.248	2	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.7255	0.069	2	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.5840	0.000	1	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.8422	0.354	39	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.3885	0.419	2	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.0620	0.000	1	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.3310	0.000	1	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.5457	1.070	9	107.5250	0.259	138	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H){2|C<4>,2|H<1>,3|C<3>}	107.8830	0.000	1	107.8830	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	106.8270	0.000	1	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	107.3620	0.525	2	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.1590	0.870	3	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	107.7070	0.338	2	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	107.7815	0.473	2	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	107.8235	0.462	2	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	107.8960	0.100	2	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	107.9680	0.000	1	107.5608	0.294	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	107.7930	0.000	1	107.5406	0.051	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.5825	0.170	6	107.5406	0.051	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.7330	0.264	2	107.5406	0.051	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	107.1440	0.000	1	107.5406	0.051	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	107.4130	0.099	2	107.5406	0.051	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.3040	0.000	1	107.5406	0.051	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	107.9400	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.8660	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.0391	0.601	7	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.5395	0.042	2	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.8700	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.7400	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.4691	0.607	14	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.5900	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.1540	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.2790	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.9057	0.255	12	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.1440	0.000	1	107.7063	0.255	43	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5523	0.167	3	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.8130	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	108.3890	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4290	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8050	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4729	0.820	15	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5300	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5732	0.317	16	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.2080	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.0620	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.1290	0.249	2	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4305	0.401	38	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.3964	0.542	235	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.1010	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.5980	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9410	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5793	0.372	3	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|F<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.7940	0.000	1	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.5708	0.244	8	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4615	0.165	2	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.5983	0.373	3	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4887	0.642	4	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.6579	0.438	107	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.8220	0.322	6	107.4871	0.261	453	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|C<2>,1|H<1>,2|C<3>}	107.4170	0.000	1	107.8100	0.728	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|C<4>,1|H<1>,2|C<3>}	107.2240	0.000	1	107.8100	0.728	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	108.7890	0.000	1	107.8100	0.728	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.7925	0.023	2	107.7925	0.001	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	108.1260	0.496	6	107.8262	0.258	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	107.4850	0.336	6	107.8262	0.258	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	108.0740	0.000	1	107.8262	0.258	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H){1|C<4>,1|H<1>,2|C<3>}	107.4700	0.532	4	107.5572	0.250	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H){1|H<1>,3|C<3>}	107.9060	0.000	1	107.5572	0.250	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	108.4940	0.000	1	107.9762	0.174	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	107.6410	0.066	2	107.9762	0.174	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,3|C<3>}	108.1290	0.000	1	107.9762	0.174	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Se)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Se)(H){1|C<4>,1|H<1>,2|C<3>}	107.6680	0.000	1	107.6680	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,2|C<3>,4|C<4>}	107.4695	0.433	2	107.3465	0.295	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	107.5310	0.114	5	107.3465	0.295	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<3>,2|H<1>,3|C<4>}	107.0800	0.825	5	107.3465	0.295	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<4>,2|H<1>,3|C<3>}	107.5100	0.000	1	107.3465	0.295	13	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9360	0.000	1	107.9570	0.002	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9675	0.054	2	107.9570	0.002	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.1376	0.377	10	107.2089	0.184	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9220	0.000	1	107.2089	0.184	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.9575	0.059	2	106.9575	0.003	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.5960	0.000	1	107.5960	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.3935	0.095	2	107.7264	0.169	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.6390	0.366	2	107.7264	0.169	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.5220	0.375	2	107.7264	0.169	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.6740	0.000	1	107.7264	0.169	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.9250	0.000	1	107.7264	0.169	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.2780	0.518	2	107.7264	0.169	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	107.4360	0.369	2	107.4360	0.136	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.4920	0.000	1	107.5880	0.034	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.7305	0.132	2	107.5880	0.034	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.3990	0.000	1	107.5880	0.034	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.3890	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.1920	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6730	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.9390	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8300	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.6970	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.4560	0.352	2	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6000	0.214	3	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8900	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5743	0.280	4	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.7490	0.133	2	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8970	0.000	2	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8305	0.387	2	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8310	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.2384	0.315	8	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5995	0.515	10	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9240	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6530	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5629	0.142	8	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6170	0.073	3	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.7190	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.7392	0.345	4	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5420	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.7504	0.702	11	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.0020	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9090	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4910	0.000	1	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9247	0.156	3	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.8824	0.207	5	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.6450	0.339	9	107.6385	0.165	91	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.4590	0.000	1	106.4590	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.7930	0.000	1	107.4674	0.104	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.0050	0.000	1	107.4674	0.104	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.5130	0.213	3	107.4674	0.104	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.7105	0.211	2	107.5793	0.074	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.3170	0.000	1	107.5793	0.074	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9990	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9080	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.0220	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6950	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6430	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6410	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9890	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9210	0.417	2	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5680	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5465	0.584	4	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.7180	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8934	0.541	8	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.6637	0.375	6	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.8070	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.5470	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.1490	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.7107	0.162	3	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9940	0.000	1	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9720	0.179	4	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.8040	0.219	2	107.7730	0.134	42	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.1360	0.000	1	107.4579	0.176	16	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.2894	0.434	8	107.4579	0.176	16	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.6030	0.000	1	107.4579	0.176	16	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.6362	0.321	5	107.4579	0.176	16	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.0920	0.000	1	107.4579	0.176	16	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,5|C<3>}	107.9110	0.000	1	107.9110	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.1550	0.000	1	107.7095	0.145	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.5610	0.292	3	107.7095	0.145	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.5730	0.000	1	107.6089	0.059	26	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.2570	0.000	1	107.6089	0.059	26	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.6650	0.000	1	107.6089	0.059	26	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.6836	0.152	16	107.6089	0.059	26	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.5100	0.000	1	107.6089	0.059	26	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.4817	0.400	6	107.6089	0.059	26	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	107.8775	0.173	2	107.8775	0.030	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.9160	0.000	1	107.9160	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.2830	0.000	1	107.5565	0.150	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.8300	0.000	1	107.5565	0.150	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H){2|C<3>,2|C<4>,3|H<1>}	107.6160	0.000	1	107.6160	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	107.3780	0.000	1	107.6385	0.078	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	107.3920	0.000	1	107.6385	0.078	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	107.7525	0.084	2	107.6385	0.078	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	107.7927	0.215	3	107.6385	0.078	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|C<3>,2|H<1>,2|N<2>}	107.8565	0.408	2	107.6385	0.078	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	107.3290	0.068	2	107.6385	0.078	11	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.4595	0.510	2	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.9270	0.560	3	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.6740	0.000	1	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.2210	0.000	1	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.3650	0.000	1	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.9910	0.197	2	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.0890	0.088	2	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.1514	0.364	5	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.7841	0.348	27	107.7738	0.194	44	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(H){1|C<4>,2|H<1>,3|C<3>}	107.7450	0.000	1	107.7450	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	107.9820	0.212	2	107.8236	0.695	8	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	107.5480	0.236	2	107.8236	0.695	8	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	107.8822	1.231	4	107.8236	0.695	8	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.8490	0.000	1	107.4156	0.308	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.1897	0.285	3	107.4156	0.308	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	108.0727	0.785	3	107.4156	0.308	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.8890	0.000	1	107.4156	0.308	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.2188	0.369	5	107.4156	0.308	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.3075	0.490	2	107.4156	0.308	15	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){2|C<3>,2|H<1>}	106.5757	0.038	3	106.5757	0.001	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	108.1700	0.552	3	108.1700	0.304	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){2|C<3>,2|H<1>}	107.3560	0.000	1	107.3560	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<3>,2|C<4>,3|H<1>}	107.6680	0.000	1	107.6680	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	106.5820	0.000	1	106.5820	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.9435	0.153	2	106.9435	0.024	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	107.9330	0.000	1	107.9330	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|I<1>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|H<1>,1|I<1>,4|C<3>}	107.5960	0.000	1	107.5960	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	110.0185	0.305	2	109.9167	0.078	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	109.7130	0.000	1	109.9167	0.078	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	108.8603	0.734	4	108.8603	0.539	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.8110	0.216	2	109.5806	0.217	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.9400	0.000	1	109.5806	0.217	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.2920	0.000	1	109.5806	0.217	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,2|N<3>,3|C<3>}	110.0490	0.000	1	109.5806	0.217	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	107.9018	0.201	5	107.8952	0.033	6	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	107.8620	0.000	1	107.8952	0.033	6	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	108.1645	0.110	4	108.1645	0.012	4	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,1|N<3>,2|C<3>}	108.9590	0.000	2	108.9590	0.000	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	108.9030	0.266	2	108.9030	0.071	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	107.9620	0.000	1	107.9620	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	109.6410	0.598	2	109.6410	0.358	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|P<4>,2|C<3>}	107.6040	0.000	1	107.6040	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|P<4>,4|C<3>}	107.9970	0.000	1	107.9970	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|P<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	107.2980	0.000	1	107.2980	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<3>,2|C<3>}	107.9525	0.153	2	107.8482	0.054	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	107.9355	0.084	2	107.8482	0.054	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<2>,2|C<3>}	107.4650	0.000	1	107.8482	0.054	5	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	107.7870	0.000	1	107.7475	0.003	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<4>,4|C<3>}	107.7080	0.000	1	107.7475	0.003	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	107.6580	0.535	7	107.6991	0.196	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	107.8060	0.061	2	107.6991	0.196	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<3>,2|C<3>}	107.7730	0.000	1	107.6991	0.196	10	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,1|S<4>,2|C<3>}	108.0390	0.246	2	108.0390	0.061	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,1|S<2>,2|C<3>}	107.9210	0.000	1	107.9210	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	107.9880	0.000	1	107.7497	0.046	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	107.6860	0.000	1	107.7497	0.046	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	107.5750	0.000	1	107.7497	0.046	3	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	107.7135	0.292	6	107.7135	0.086	6	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	108.1050	0.000	1	107.8388	0.597	9	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	107.8055	0.819	8	107.8388	0.597	9	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	107.8265	0.605	2	107.8265	0.366	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	107.8199	0.550	18	107.8199	0.302	18	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,1|S<2>,4|C<3>}	107.3970	0.000	1	107.3970	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|O<2>,3|C<3>}	108.3610	0.000	1	108.3610	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	108.1620	0.000	1	108.1620	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|S<4>,3|C<3>}	107.6270	0.000	1	107.6270	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	107.9950	0.157	2	107.9950	0.025	2	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	108.1980	0.000	1	108.1980	0.000	1	107.6014	0.295	1221	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	110.0000	0.000	1	110.0000	0.000	1	110.0503	0.003	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	110.0755	0.056	2	110.0755	0.003	2	110.0503	0.003	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.4360	0.000	1	107.4360	0.000	1	106.9580	0.457	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]O[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.4800	0.000	1	106.4800	0.000	1	106.9580	0.457	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	107.7330	0.000	1	107.7330	0.000	1	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.5110	0.000	1	107.5110	0.000	1	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.8440	0.000	1	107.8475	0.000	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.8510	0.000	1	107.8475	0.000	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.9500	0.000	1	107.9500	0.000	1	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.2540	0.724	2	106.2540	0.524	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|B<3>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]B[5])(C[5a]C[5a]H){1|C<3>,2|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.2855	0.344	2	107.2855	0.119	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.0490	0.393	2	107.0490	0.155	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.3100	0.000	1	107.3100	0.000	1	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.4150	0.191	2	108.4150	0.036	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.8625	0.117	2	107.8017	0.018	3	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.6800	0.000	1	107.8017	0.018	3	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.4895	0.172	2	107.4895	0.030	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]C){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.0530	2.753	2	107.0530	7.582	2	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]S){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	108.0840	0.000	1	108.0840	0.000	1	107.4900	0.729	22	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|C<3>,2|H<1>,2|N<3>}	107.9330	0.303	4	107.9330	0.092	4	107.9868	0.064	16	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	108.1100	0.054	2	108.0047	0.061	12	107.9868	0.064	16	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	108.1172	0.274	5	108.0047	0.061	12	107.9868	0.064	16	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	107.8500	0.200	5	108.0047	0.061	12	107.9868	0.064	16	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|F<1>,2|C<3>}	107.4970	0.460	2	107.4970	0.211	2	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|F<1>,1|H<1>,2|C<3>}	107.0225	0.672	2	107.0225	0.452	2	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	107.2740	0.000	1	107.2740	0.000	1	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	107.0035	0.194	2	107.3628	0.126	6	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	107.5425	0.262	4	107.3628	0.126	6	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	106.7438	0.386	6	106.7363	0.187	23	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	106.3200	0.000	1	106.7363	0.187	23	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	106.6163	0.273	13	106.7363	0.187	23	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	107.3797	0.655	3	106.7363	0.187	23	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){2|C<3>,2|H<1>}	106.7340	0.827	2	106.7340	0.684	2	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|H<1>,1|S<4>,2|C<3>}	108.2350	0.000	1	108.2350	0.000	1	106.9494	0.295	37	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){1|H<1>,2|N<3>,3|C<3>}	108.4112	0.396	4	108.4112	0.157	4	108.2270	0.287	5	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	107.4900	0.000	1	107.4900	0.000	1	108.2270	0.287	5	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	107.1380	0.000	1	107.1380	0.000	1	107.0514	0.436	11	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	107.4870	0.000	1	107.4870	0.000	1	107.0514	0.436	11	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	107.1043	0.032	3	106.9933	0.516	9	107.0514	0.436	11	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	106.9150	0.000	1	106.9933	0.516	9	107.0514	0.436	11	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	106.9424	1.009	5	106.9933	0.516	9	107.0514	0.436	11	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){5|C<3>}	C[5a,6a](C[6,6a]C[5a,6,6a]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	107.1470	0.000	1	107.1470	0.000	1	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.0680	0.000	1	108.0680	0.000	1	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.0460	0.000	1	108.0460	0.000	1	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	108.1679	0.189	7	108.1346	0.040	8	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	107.9020	0.000	1	108.1346	0.040	8	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	108.5670	0.000	1	108.5670	0.000	1	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	108.3910	0.000	1	108.3910	0.000	1	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,1|O<1>,2|C<3>}	109.1980	0.000	1	109.1980	0.000	1	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>}	109.9040	0.000	1	109.9040	0.000	1	108.2932	0.386	15	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	109.2610	0.000	1	109.2610	0.000	1	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	108.4280	0.000	1	108.2735	0.048	2	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	108.1190	0.000	1	108.2735	0.048	2	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	109.1090	0.000	1	109.1090	0.000	1	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.8530	0.000	1	108.8530	0.000	1	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	108.3603	0.375	10	108.3482	0.128	11	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,3|C<3>,3|C<4>}	108.2270	0.000	1	108.3482	0.128	11	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	109.0280	0.000	1	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	108.0365	0.878	2	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	108.3205	0.270	4	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	109.2683	0.751	3	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	108.5770	0.000	1	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	107.9880	0.000	1	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	108.6300	0.204	2	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	108.8830	0.000	1	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	108.3575	0.425	2	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,5|C<3>}	108.4250	0.000	1	108.5576	0.317	18	108.5187	0.248	34	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	109.7890	0.000	1	109.7890	0.000	1	109.7903	0.115	12	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	110.0455	0.036	2	109.8907	0.073	3	109.7903	0.115	12	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	109.5810	0.000	1	109.8907	0.073	3	109.7903	0.115	12	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,4|C<3>}	109.3433	0.118	3	109.3433	0.014	3	109.7903	0.115	12	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	109.9983	0.315	3	109.9983	0.099	3	109.7903	0.115	12	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	109.8380	0.000	1	109.9985	0.052	2	109.7903	0.115	12	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	110.1590	0.000	1	109.9985	0.052	2	109.7903	0.115	12	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	109.8875	0.032	2	109.8875	0.001	2	109.8875	0.001	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|N<2>,2|C<4>,3|C<3>}	108.2775	0.330	2	108.1997	0.073	3	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){2|C<4>,4|C<3>}	108.0440	0.000	1	108.1997	0.073	3	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.2390	0.000	1	107.9610	0.155	2	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	107.6830	0.000	1	107.9610	0.155	2	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.2490	0.000	1	108.0355	0.091	2	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,3|C<4>}	107.8220	0.000	1	108.0355	0.091	2	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.0840	0.000	1	108.1475	0.008	2	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.2110	0.000	1	108.1475	0.008	2	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	108.4130	0.472	7	108.5295	0.131	17	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.4163	0.259	3	108.5295	0.131	17	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	108.4880	0.000	1	108.5295	0.131	17	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.8440	0.000	1	108.5295	0.131	17	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.9280	0.000	1	108.5295	0.131	17	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.6505	0.245	4	108.5295	0.131	17	108.3803	0.147	26	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	107.4820	0.047	2	107.4820	0.002	2	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.0630	0.000	1	107.6460	0.143	3	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,4|C<4>}	107.3260	0.000	1	107.6460	0.143	3	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	107.5490	0.000	1	107.6460	0.143	3	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	108.1080	0.000	1	108.4092	0.052	6	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<3>,3|C<4>}	108.5255	0.172	4	108.4092	0.052	6	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	108.2450	0.000	1	108.4092	0.052	6	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	108.7190	0.000	1	108.7190	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	108.3680	0.000	1	108.3680	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.9800	0.000	1	107.9800	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.6560	0.000	1	108.6560	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	108.4310	0.000	1	108.3193	0.034	3	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.2635	0.223	2	108.3193	0.034	3	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.8490	0.000	1	107.8490	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	107.9780	0.000	1	107.9780	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	108.5950	0.030	2	108.2302	0.178	4	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.8720	0.000	1	108.2302	0.178	4	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,3|C<3>,3|C<4>}	107.8590	0.000	1	108.2302	0.178	4	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	106.6625	0.764	2	107.6107	0.458	8	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.8450	0.081	5	107.6107	0.458	8	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	108.3360	0.000	1	107.6107	0.458	8	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	107.8590	0.000	1	107.8590	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2380	0.167	3	108.1067	0.074	7	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	108.4410	0.000	1	108.1067	0.074	7	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.8640	0.156	3	108.1067	0.074	7	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.1335	0.248	2	107.9276	0.062	5	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.8485	0.153	2	107.9276	0.062	5	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.6740	0.000	1	107.9276	0.062	5	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.0760	1.054	4	108.0760	1.110	4	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.0620	0.000	1	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.7456	0.786	10	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	107.8780	0.000	1	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	107.3830	0.000	1	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	107.7566	0.314	7	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.1335	0.636	4	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.8839	0.194	7	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	108.1480	0.000	1	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	108.1120	0.000	1	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.9870	0.000	1	107.8542	0.258	34	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.4390	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	107.8580	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.0400	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.2940	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	107.8294	0.188	5	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.8158	0.510	36	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	107.9616	0.568	5	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){2|C<3>,2|H<1>,3|C<4>}	108.3570	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,2|C<3>,4|C<4>}	107.5220	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,3|C<3>,3|C<4>}	108.1190	0.240	4	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.9660	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.0100	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.2290	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.0825	0.148	2	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.6900	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.6710	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	109.0070	0.000	1	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	109.2565	0.312	2	107.9479	0.271	66	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.4310	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.5690	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.5760	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.5990	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.0450	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.4115	0.107	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	107.9060	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	108.3470	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	108.1300	0.450	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	107.4780	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.9550	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.8930	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.6612	0.399	13	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	107.8610	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	108.1910	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.6870	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	107.7870	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	107.9993	0.268	9	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	106.9745	0.339	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.9152	0.148	5	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	108.1123	0.247	3	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.6870	0.262	8	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.5100	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.4310	0.151	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	106.4340	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	108.0865	0.862	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.6820	0.429	3	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.9820	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	107.5850	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.6190	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	107.6253	0.522	7	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	108.0244	0.229	8	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	108.4280	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.1760	0.142	4	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.1950	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	108.6325	0.315	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	107.7000	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	108.0580	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	107.5710	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.9670	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	108.0043	0.232	3	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	108.5532	0.366	4	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.3950	0.208	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	109.0220	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	108.1830	0.027	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.6202	0.247	4	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	108.3057	0.010	3	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.5540	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.6177	0.301	3	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	108.7470	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	109.3820	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.7750	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,5|C<3>}	109.2220	0.000	1	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	109.4978	0.439	5	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|H<1>,3|C<3>}	110.2835	2.135	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	108.9730	0.076	2	108.0854	0.455	133	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	108.3880	0.000	1	108.3880	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H){1|H<1>,2|C<3>,2|C<4>}	107.7205	0.298	2	107.7205	0.089	2	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.4425	0.237	2	107.4425	0.056	2	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|H<1>,2|N<3>,3|C<3>}	110.0924	0.162	7	110.0924	0.026	7	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H){1|H<1>,1|N<2>,3|C<3>}	109.4980	0.000	1	109.4980	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	110.4700	0.000	1	110.4700	0.000	1	108.0727	0.475	296	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|Cl<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	109.4380	0.000	1	109.4380	0.000	1	108.4336	0.356	5	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.5240	0.000	1	108.5240	0.000	1	108.4336	0.356	5	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a]N[5a]){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.0980	0.000	1	108.0980	0.000	1	108.4336	0.356	5	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|O<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.0540	0.076	2	108.0540	0.006	2	108.4336	0.356	5	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.8760	0.000	1	108.8760	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.0940	0.362	2	109.0940	0.131	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	110.1000	0.000	1	109.2660	1.391	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	108.4320	0.000	1	109.2660	1.391	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.6028	0.370	4	108.6028	0.137	4	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	110.9620	0.000	1	110.9620	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	108.8695	0.609	2	108.8885	0.095	6	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.7900	0.000	1	108.8885	0.095	6	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	109.0340	0.173	2	108.8885	0.095	6	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.7340	0.000	1	108.8885	0.095	6	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	107.9530	0.000	1	108.1580	0.078	4	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.2263	0.297	3	108.1580	0.078	4	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	109.5120	0.000	1	109.5120	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	109.1300	0.000	1	109.1300	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,1|N<3>,4|C<3>}	109.4500	0.635	19	109.4500	0.404	19	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	108.2960	0.000	1	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,5|C<3>}	109.5358	0.227	4	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|C<2>,4|C<3>}	107.9135	0.152	2	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	109.0660	0.963	4	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.3600	0.000	1	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	109.3340	0.543	4	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,5|C<3>}	107.9460	0.356	2	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|C<4>,4|C<3>}	109.0270	0.000	1	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	109.0020	0.000	1	108.9073	0.574	20	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.4885	0.496	4	108.4885	0.246	4	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.7810	0.000	1	108.7810	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.8740	0.000	1	108.8740	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.4740	0.000	1	108.4740	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.4370	0.000	1	108.4370	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.2320	0.000	1	109.1443	0.019	3	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.1005	0.163	2	109.1443	0.019	3	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.3160	0.226	2	109.3160	0.051	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.2110	0.000	1	109.1015	0.024	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.9920	0.000	1	109.1015	0.024	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.7770	0.000	1	108.7770	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.1140	0.989	2	109.1140	0.977	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	108.8461	0.417	12	108.7869	0.172	14	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	108.4315	0.172	2	108.7869	0.172	14	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.7915	0.046	2	108.7915	0.002	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	109.0170	0.000	1	108.7965	0.097	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.5760	0.000	1	108.7965	0.097	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.7595	0.285	2	108.7595	0.081	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.5805	0.508	2	109.3077	0.289	4	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.6410	0.000	1	109.3077	0.289	4	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.4290	0.000	1	109.3077	0.289	4	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	107.9640	0.000	1	107.9640	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.0390	0.000	1	109.0390	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	108.8990	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.2885	0.142	2	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.9380	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.6450	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	109.1370	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.2030	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.8870	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	109.0400	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.8220	0.000	1	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	109.3437	0.508	3	108.9368	0.175	13	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.7550	0.000	1	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.5120	0.000	1	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.3370	0.000	1	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.4620	0.655	2	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.5987	0.365	4	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	108.6720	0.006	2	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.7105	0.215	13	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	108.7565	0.200	4	108.7332	0.100	28	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.0470	0.263	2	109.1463	0.064	3	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	109.3450	0.000	1	109.1463	0.064	3	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.4520	0.000	1	109.6415	0.757	17	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.2800	0.112	2	109.6415	0.757	17	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.5080	0.000	1	109.6415	0.757	17	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	108.7900	0.000	1	109.6415	0.757	17	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.0570	0.535	2	109.6415	0.757	17	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	109.9482	1.008	10	109.6415	0.757	17	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.5055	0.087	2	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.3830	0.204	3	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	108.8340	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.7100	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.4170	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.5150	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.8460	0.185	6	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.2553	0.160	4	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.3890	0.372	3	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	109.0270	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.0257	2.375	3	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.5398	0.201	5	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.9760	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	110.1830	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.8820	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.1390	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	109.4550	0.281	2	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.4800	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.8643	0.315	7	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.0192	0.317	4	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.4380	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.8320	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.6245	0.106	4	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.7793	0.576	3	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.5340	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.7390	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	109.3420	0.000	1	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.7618	0.499	5	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.8947	0.552	7	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.2932	0.315	5	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.8855	0.087	2	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	109.2113	0.229	11	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<3>,4|C<3>}	108.8844	0.387	8	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	108.9049	1.157	7	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.8567	0.390	3	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.6995	0.316	6	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.9516	0.517	34	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,1|H<1>,4|C<3>}	108.7580	1.025	2	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	108.8785	0.256	6	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.3519	0.775	81	109.1075	0.450	238	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.5635	0.103	2	108.6636	0.485	7	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.3036	0.398	5	108.6636	0.485	7	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.3900	0.000	1	109.3900	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,1|N<2>,3|C<3>}	110.8180	0.000	1	110.8180	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.8870	0.000	1	109.6662	0.071	10	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	109.5110	0.519	2	109.6662	0.071	10	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.6790	0.213	7	109.6662	0.071	10	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.5920	0.372	2	109.5920	0.138	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.1845	0.486	2	109.1845	0.236	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	109.2870	0.000	1	109.2870	0.000	1	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	108.6695	0.214	2	108.6695	0.046	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.7190	0.000	1	108.7930	0.011	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.8670	0.000	1	108.7930	0.011	2	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	109.4620	1.156	4	109.4562	0.612	12	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<3>,4|C<3>}	109.4534	0.624	8	109.4562	0.612	12	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	109.5350	0.000	1	109.8440	0.051	11	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	110.0800	0.000	1	109.8440	0.051	11	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	109.6910	0.187	4	109.8440	0.051	11	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	110.0170	0.167	3	109.8440	0.051	11	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	109.9490	0.000	1	109.8440	0.051	11	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	109.9050	0.000	1	109.8440	0.051	11	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.5080	0.137	3	109.1013	0.268	12	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.1550	1.144	2	109.1013	0.268	12	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	109.4830	0.000	1	109.1013	0.268	12	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	108.8165	0.305	6	109.1013	0.268	12	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.7905	0.305	2	109.6470	0.108	3	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.3600	0.000	1	109.6470	0.108	3	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.4980	0.110	2	109.5437	0.014	6	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.5975	0.214	2	109.5437	0.014	6	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	109.5355	0.012	2	109.5437	0.014	6	109.1161	0.440	477	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	109.2140	0.000	1	109.2140	0.000	1	108.8811	0.173	7	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	108.0180	0.000	1	108.0180	0.000	1	108.8811	0.173	7	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.9370	0.218	2	108.9370	0.047	2	108.8811	0.173	7	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	108.9445	0.185	2	108.9445	0.034	2	108.8811	0.173	7	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	109.1730	0.000	1	109.1730	0.000	1	108.8811	0.173	7	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(H){1|H<1>,4|C<3>}	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6,6a]-3:C[5,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[5a,6a](C[6,6a]C[6,6a]C[4,6])(C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	107.5120	0.000	1	107.5120	0.000	1	107.5120	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	109.5310	0.000	1	109.1940	0.227	2	109.1940	0.227	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	108.8570	0.000	1	109.1940	0.227	2	109.1940	0.227	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	107.9790	0.000	1	107.9790	0.000	1	107.7325	0.122	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	107.4860	0.000	1	107.4860	0.000	1	107.7325	0.122	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	111.6050	0.033	2	111.6050	0.001	2	111.6050	0.001	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]H)(N[6a]C[6a]H){1|O<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	111.0585	0.414	2	111.0585	0.171	2	111.0585	0.171	2	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]H)(N[5a]C[5a]H){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	107.4680	0.000	1	107.4680	0.000	1	107.4680	0.000	1	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,5|C<3>}	107.9460	0.000	1	107.9460	0.000	1	108.3440	0.163	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H){1|C<4>,2|N<2>,3|C<3>}	108.5430	0.298	2	108.5430	0.089	2	108.3440	0.163	3	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.3605	0.078	2	109.3605	0.006	2	109.0768	0.073	8	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	109.2405	0.202	2	109.2405	0.041	2	109.0768	0.073	8	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(H){6|C<3>}	108.8530	0.133	4	108.8530	0.018	4	109.0768	0.073	8	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	107.6395	0.151	2	107.6395	0.023	2	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	107.5510	0.000	1	107.8877	0.087	3	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	108.0560	0.065	2	107.8877	0.087	3	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	108.6350	0.000	1	108.6350	0.000	1	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	107.7540	0.286	2	107.7540	0.082	2	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	107.9775	0.121	2	107.9775	0.015	2	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.7110	0.000	1	107.7110	0.000	1	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	108.1613	0.503	3	108.1613	0.253	3	107.9454	0.134	14	108.1258	0.872	2404	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:As[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]As[5a]C[6a]){1|H<1>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a]){2|H<1>,6|C<3>}	112.2035	0.537	2	112.2035	0.288	2	112.2035	0.288	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH){3|C<3>,4|C<4>}	106.3770	0.000	1	106.3970	0.001	2	106.3970	0.001	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH){3|C<3>,4|C<4>}	106.4170	0.000	1	106.3970	0.001	2	106.3970	0.001	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|H<1>,3|C<3>}	107.3025	0.210	2	107.3025	0.044	2	107.2118	0.073	6	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	106.9680	0.000	1	106.8990	0.010	2	107.2118	0.073	6	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	106.8300	0.000	1	106.8990	0.010	2	107.2118	0.073	6	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CC){2|C<3>,2|H<1>}	107.4340	0.047	2	107.4340	0.002	2	107.2118	0.073	6	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC){1|F<1>,3|C<3>}	107.6280	0.000	1	107.6280	0.000	1	107.3420	0.164	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO){1|C<4>,1|H<1>,2|C<3>}	107.0560	0.000	1	107.0560	0.000	1	107.3420	0.164	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	106.0340	0.000	1	106.0340	0.000	1	106.4260	0.135	3	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH){1|H<1>,5|C<3>}	106.7610	0.000	1	106.7610	0.000	1	106.4260	0.135	3	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH){1|H<1>,3|C<3>}	106.4830	0.000	1	106.4830	0.000	1	106.4260	0.135	3	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(OH){1|C<4>,3|C<3>,3|H<1>}	106.8805	0.272	2	106.8805	0.074	2	106.8805	0.074	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC){2|H<1>,4|C<3>}	108.4755	0.166	4	108.4755	0.028	4	108.4755	0.028	4	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NNb[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NNb[5]){2|H<1>,4|C<3>}	108.0825	0.088	2	108.0825	0.008	2	108.0825	0.008	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){3|H<1>,4|C<3>}	106.4570	0.000	1	106.4570	0.000	1	105.9840	0.238	3	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	106.0120	0.000	1	105.7475	0.140	2	105.9840	0.238	3	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	105.4830	0.000	1	105.7475	0.140	2	105.9840	0.238	3	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F){2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|C<4>,4|C<3>}	107.9170	0.000	1	107.1233	0.476	3	106.4566	0.453	10	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]F){2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	106.7265	0.090	2	107.1233	0.476	3	106.4566	0.453	10	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	106.3485	0.306	2	106.3485	0.094	2	106.4566	0.453	10	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	105.8865	0.205	4	105.8865	0.042	4	106.4566	0.453	10	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	106.9530	0.000	1	106.9530	0.000	1	106.4566	0.453	10	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<2>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	108.4160	0.000	1	108.4160	0.000	1	108.7305	0.198	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	109.0450	0.000	1	109.0450	0.000	1	108.7305	0.198	2	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	107.2913	1.926	45	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC){1|H<1>,1|N<3>,4|C<3>}	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO){1|H<1>,5|C<3>}	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	110.6250	0.000	1	110.6250	0.000	1	110.6250	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.5750	0.000	1	108.5750	0.000	1	109.2895	1.021	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	110.0040	0.000	1	110.0040	0.000	1	109.2895	1.021	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	108.5510	0.423	3	108.5510	0.179	3	108.5510	0.179	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	108.2940	0.000	1	108.2940	0.000	1	108.3094	0.048	5	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	108.0620	0.000	1	108.0620	0.000	1	108.3094	0.048	5	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|H<1>,3|C<3>}	108.1410	0.000	1	108.1410	0.000	1	108.3094	0.048	5	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2){2|C<3>,2|H<1>}	108.5990	0.000	1	108.5990	0.000	1	108.3094	0.048	5	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){2|C<3>,2|H<1>}	108.4510	0.000	1	108.4510	0.000	1	108.3094	0.048	5	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	107.1740	0.000	1	107.1740	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	107.2850	0.000	1	107.2195	0.113	10	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	107.2122	0.356	9	107.2195	0.113	10	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN){1|C<4>,5|C<3>}	106.8595	0.073	2	106.8595	0.005	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	105.7420	0.000	1	105.8255	0.014	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	105.9090	0.000	1	105.8255	0.014	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	107.0540	0.000	1	107.0540	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Cl)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Cl)(COO){1|H<1>,3|C<3>}	107.5120	0.000	1	107.5120	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO){1|Br<1>,1|H<1>,2|C<3>}	108.2460	0.000	1	108.2460	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,3|C<3>}	107.4700	0.000	1	107.4700	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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>}	107.3701	0.447	15	107.3701	0.200	15	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	106.8520	0.000	1	107.1263	0.260	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	106.9423	0.619	3	107.1263	0.260	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	107.6200	0.000	1	107.1263	0.260	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	107.4590	0.000	1	107.1263	0.260	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(COO){2|C<4>,2|H<1>,3|C<3>}	106.7580	0.256	2	106.7580	0.066	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC){1|C<4>,1|H<1>,4|C<3>}	107.9990	0.000	1	107.9990	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|C<4>,1|H<1>,4|C<3>}	107.4935	0.241	2	107.7000	0.157	3	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|H<1>,5|C<3>}	108.1130	0.000	1	107.7000	0.157	3	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	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>}	107.1870	0.000	1	107.1870	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<2>,1|H<1>,4|C<3>}	107.9030	0.000	1	107.4757	0.103	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	107.2890	0.294	3	107.4757	0.103	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	107.5420	0.218	2	107.4757	0.103	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC){1|H<1>,3|C<3>}	107.9020	0.000	1	107.9020	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|C<4>,1|H<1>,2|C<3>}	108.0350	0.000	1	107.9865	0.005	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|H<1>,3|C<3>}	107.9380	0.000	1	107.9865	0.005	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	106.9290	0.192	3	107.2270	0.107	8	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	107.4058	0.250	5	107.2270	0.107	8	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	107.0880	0.000	1	107.0880	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|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>}	107.5220	0.000	1	107.5588	0.039	5	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|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>}	107.4800	0.000	1	107.5588	0.039	5	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|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>}	107.5973	0.267	3	107.5588	0.039	5	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	107.1955	0.302	2	106.8704	0.188	17	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	107.3040	0.000	1	106.8704	0.188	17	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	106.6200	0.000	1	106.8704	0.188	17	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	106.8650	0.000	1	106.8704	0.188	17	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	106.7354	0.519	9	106.8704	0.188	17	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	107.1990	0.000	1	106.8704	0.188	17	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	106.8995	0.168	2	106.8704	0.188	17	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO){1|C<4>,1|H<1>,2|C<3>}	107.4575	0.006	2	107.4575	0.000	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5a]H){1|H<1>,3|C<3>}	107.1720	0.000	1	107.1720	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|Si<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(COO){1|C<4>,1|H<1>,2|C<3>}	106.4900	0.000	1	106.4900	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	107.1140	0.000	1	107.1140	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	107.0460	0.000	1	107.0460	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,3|C<3>,3|C<4>}	107.8160	0.000	1	107.8160	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	106.9070	0.000	1	107.0212	0.027	4	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	106.8620	0.000	1	107.0212	0.027	4	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	107.1580	0.074	2	107.0212	0.027	4	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,1|N<2>,4|C<3>}	107.3083	0.373	3	107.3083	0.139	3	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|H<1>,5|C<3>}	107.0550	0.000	1	107.0550	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	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>}	107.9805	0.265	2	107.9805	0.070	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	107.1340	0.000	1	107.1800	0.004	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	107.2260	0.000	1	107.1800	0.004	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CNO){2|C<3>,2|H<1>}	107.5630	0.000	1	107.5630	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN[5]O){2|C<3>,2|H<1>}	108.1870	0.000	1	108.1870	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	107.2958	0.313	6	107.2958	0.098	6	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){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>}	107.7980	0.000	1	107.7980	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){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])(COO){1|C<4>,3|C<3>,3|H<1>}	107.1670	0.000	1	107.1670	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){2|H<1>,4|C<3>}	106.6880	0.000	1	106.6880	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	107.3745	0.004	2	107.3745	0.000	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N){2|H<1>,4|C<3>}	107.5250	0.000	1	107.5250	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){2|C<3>,2|H<1>}	107.1700	0.000	1	107.1700	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){2|C<3>,2|H<1>}	106.9260	0.061	2	106.9260	0.004	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O){2|C<3>,2|H<1>}	107.0910	0.000	1	107.0910	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	107.7877	0.177	3	107.7877	0.031	3	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|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>}	107.5290	0.092	2	107.5290	0.008	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN){2|C<3>,2|H<1>}	106.8700	0.000	1	106.8700	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO){2|C<3>,2|H<1>}	107.0970	0.000	1	107.0970	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CCO){2|C<3>,2|H<1>}	106.4920	0.000	1	106.4920	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<1>,2|C<3>}	107.5390	0.000	1	108.0393	0.230	3	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<2>,2|C<3>}	108.2895	0.291	2	108.0393	0.230	3	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	107.1850	0.000	1	107.1850	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	107.8850	0.000	1	107.8850	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,1|P<4>,4|C<3>}	107.6270	0.000	1	107.6270	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	106.6640	0.245	2	106.6640	0.060	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	106.6085	0.276	2	106.6085	0.076	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	106.6535	0.103	2	106.6535	0.011	2	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<3>,1|N<2>,2|H<1>}	107.5850	0.000	1	107.5850	0.000	1	107.2482	0.241	145	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]Ir)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]Ir){2|H<1>,5|C<3>}	108.0660	0.000	1	108.0660	0.000	1	107.8000	0.234	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<3>,7|C<3>}	108.2140	0.000	1	108.2140	0.000	1	107.8000	0.234	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,7|C<3>}	108.3900	0.000	1	108.3900	0.000	1	107.8000	0.234	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|S<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	107.3223	0.223	3	107.3223	0.050	3	107.8000	0.234	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	107.9630	0.000	1	107.9630	0.000	1	107.8000	0.234	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC){1|C<2>,1|H<1>,2|C<3>}	106.9550	0.404	2	106.9550	0.164	2	107.1297	0.109	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH){1|H<1>,3|C<3>}	107.2670	0.000	1	107.2670	0.000	1	107.1297	0.109	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	106.9450	0.000	1	106.9450	0.000	1	107.1297	0.109	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){2|H<1>,4|C<3>}	107.0220	0.000	1	107.0220	0.000	1	107.1297	0.109	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H){2|C<3>,2|H<1>}	107.6340	0.000	1	107.6340	0.000	1	107.1297	0.109	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	107.2810	0.000	1	107.2810	0.000	1	107.5826	0.573	8	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>}	107.9720	0.000	1	107.9720	0.000	1	107.5826	0.573	8	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a]){2|H<1>,4|C<3>}	108.1223	0.054	4	108.1223	0.003	4	107.5826	0.573	8	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2){1|H<1>,1|P<3>,2|C<3>}	106.4595	0.268	2	106.4595	0.072	2	107.5826	0.573	8	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN){2|C<3>,2|H<1>}	107.1510	0.000	1	107.1510	0.000	1	107.4841	0.196	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	107.9920	0.096	2	107.9920	0.009	2	107.4841	0.196	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|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>}	107.3135	0.375	4	107.3135	0.141	4	107.4841	0.196	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	107.2420	0.126	2	107.2420	0.016	2	106.6204	0.321	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO){1|H<1>,3|C<3>}	107.3710	0.000	1	107.3710	0.000	1	106.6204	0.321	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|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>}	106.6040	0.137	2	106.6040	0.019	2	106.6204	0.321	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(COO){1|C<4>,1|H<1>,2|C<3>}	106.3560	0.031	2	106.3560	0.001	2	106.6204	0.321	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC){2|C<3>,2|H<1>}	106.6340	0.000	1	106.6340	0.000	1	106.6204	0.321	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|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>}	106.3070	0.000	1	106.3070	0.000	1	106.6204	0.321	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CNO){2|C<3>,2|H<1>}	105.4880	0.000	1	105.4880	0.000	1	106.6204	0.321	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	106.6790	0.000	1	106.6790	0.000	1	106.5525	0.057	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){3|H<1>,5|C<3>}	106.7475	0.078	2	106.7475	0.006	2	106.5525	0.057	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]O){3|H<1>,4|C<3>}	106.3803	0.220	3	106.3803	0.048	3	106.5525	0.057	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	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>}	107.9090	0.000	1	107.9090	0.000	1	108.2750	0.268	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	108.6410	0.000	1	108.6410	0.000	1	108.2750	0.268	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	107.5335	1.166	2	107.5335	1.360	2	107.6343	0.710	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,1|O<2>,4|C<3>}	107.8360	0.000	1	107.8360	0.000	1	107.6343	0.710	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:Ge[6a]-3:N[5a]-3:	C[5a,6a]-3:Ge[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]S)(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]S)(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]S)(N[5a]C[5a]C[6a]){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]S)(N[5a]C[5a]C[6a]){1|N<3>,1|S<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|S<2>,2|C<4>,6|C<3>}	106.1580	0.144	4	106.1580	0.021	4	106.1616	0.034	8	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:Ge[6a]-3:N[5a]-3:	C[5a,6a]-3:Ge[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]Te)(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]Te)(N[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]Te)(N[5a]C[5a]C[6a]){1|Te<3>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]Ge[6a]N[5a])(Ge[6a]C[5a,6a]Te)(N[5a]C[5a]C[6a]){1|Te<3>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|Te<3>,2|C<4>,6|C<3>}	106.1653	0.243	4	106.1653	0.059	4	106.1616	0.034	8	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.2350	0.000	1	108.2350	0.000	1	106.8290	1.483	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	106.1260	0.000	2	106.1260	0.000	2	106.8290	1.483	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH){1|H<1>,3|C<3>,3|C<4>}	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|H<1>,4|C<3>}	108.5650	0.000	1	108.5650	0.000	1	108.9710	0.330	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|O<2>,2|H<1>,3|C<3>}	109.3770	0.000	1	109.3770	0.000	1	108.9710	0.330	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	109.6060	0.000	1	109.6060	0.000	1	109.6060	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	110.0530	0.139	2	110.0530	0.019	2	110.0530	0.019	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.1925	0.073	2	107.3860	0.156	5	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.5150	0.497	3	107.3860	0.156	5	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO){2|C<4>,2|H<1>,3|C<3>}	107.6350	0.000	1	107.8545	0.096	2	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO){1|C<4>,3|C<3>,3|H<1>}	108.0740	0.000	1	107.8545	0.096	2	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	107.6650	0.000	1	107.7196	0.624	14	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,2|C<3>,4|C<4>}	107.4530	0.236	2	107.7196	0.624	14	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	107.6076	1.349	5	107.7196	0.624	14	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	107.8190	0.000	1	107.7196	0.624	14	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|N<3>,2|H<1>,4|C<3>}	107.5670	0.000	1	107.7196	0.624	14	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.3330	0.000	1	107.7196	0.624	14	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	107.9157	0.154	3	107.7196	0.624	14	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO){1|C<4>,1|H<1>,3|C<3>}	108.2940	0.000	1	108.2940	0.000	1	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|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>}	107.0530	0.000	1	107.0530	0.000	1	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|C<4>,1|H<1>,3|C<3>}	107.5070	0.224	3	107.5115	0.033	4	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|H<1>,2|C<3>,2|C<4>}	107.5250	0.000	1	107.5115	0.033	4	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO){1|H<1>,2|C<3>,2|C<4>}	106.5190	0.000	1	106.9162	0.192	5	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO){1|H<1>,2|C<3>,2|C<4>}	107.0155	0.436	4	106.9162	0.192	5	107.5215	0.426	32	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){2|C<4>,3|H<1>,4|C<3>}	107.2880	0.000	1	107.2880	0.000	1	108.2703	1.084	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	109.6810	0.092	2	109.6810	0.008	2	108.2703	1.084	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,2|H<1>,6|C<3>}	107.4150	0.199	2	107.6330	0.162	3	108.2703	1.084	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	108.0690	0.000	1	107.6330	0.162	3	108.2703	1.084	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	108.3430	0.000	1	108.3430	0.000	1	108.2703	1.084	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO){1|C<4>,1|H<1>,5|C<3>}	108.7220	0.000	2	108.7220	0.000	2	108.7220	0.000	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	110.3150	0.000	1	109.9575	0.256	2	109.3462	0.584	4	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.6000	0.000	1	109.9575	0.256	2	109.3462	0.584	4	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.7350	0.045	2	108.7350	0.002	2	109.3462	0.584	4	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2){2|H<1>,4|C<3>}	109.5500	0.202	3	109.5500	0.041	3	109.5500	0.041	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC){1|H<1>,1|N<3>,4|C<3>}	108.9250	0.000	1	108.9250	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){2|H<1>,4|C<3>}	108.0460	0.000	1	108.0460	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO){1|H<1>,5|C<3>}	109.7130	0.000	1	109.7130	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(COO){1|H<1>,4|C<3>}	108.6580	0.000	1	108.6580	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	108.2553	0.712	4	108.6953	0.231	24	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	108.7832	0.388	20	108.6953	0.231	24	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	108.5280	0.000	1	108.4783	0.016	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	108.5375	0.101	2	108.4783	0.016	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	108.3100	0.000	1	108.4783	0.016	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[3,5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[3,5]O){2|H<1>,4|C<3>}	109.5055	2.283	2	109.5055	5.213	2	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2){1|N<2>,2|H<1>,3|C<3>}	108.3440	0.000	1	108.3440	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	109.0537	0.285	6	109.0537	0.081	6	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|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>}	108.1942	0.638	5	108.4355	0.230	36	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|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>}	108.4744	0.451	31	108.4355	0.230	36	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CClC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CClC){2|H<1>,4|C<3>}	108.6358	0.206	4	108.6358	0.043	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHO){2|H<1>,4|C<3>}	108.3455	0.110	4	108.3455	0.012	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CMoH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CMoH){2|H<1>,4|C<3>}	108.8860	0.389	2	108.8860	0.151	2	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]O){2|H<1>,4|C<3>}	108.4860	0.129	4	108.4860	0.017	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|H<1>,1|O<2>,4|C<3>}	109.0690	0.000	1	108.7115	0.112	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){2|H<1>,4|C<3>}	108.5725	0.405	2	108.7115	0.112	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|N<2>,2|H<1>,3|C<3>}	108.6320	0.000	1	108.7115	0.112	4	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CSS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CSS){2|H<1>,4|C<3>}	107.9889	0.464	8	107.9889	0.216	8	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|H<1>,1|O<2>,4|C<3>}	109.5830	0.000	1	109.5830	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|N<2>,2|H<1>,3|C<3>}	108.4410	0.000	1	108.4410	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|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>}	109.0230	0.000	1	109.0230	0.000	1	108.5730	0.302	106	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a]){1|N<3>,3|H<1>,6|C<3>}	108.2125	0.438	2	108.2125	0.192	2	109.3017	1.195	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a]){3|H<1>,6|C<3>}	109.5740	1.042	8	109.5740	1.085	8	109.3017	1.195	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|C<4>,3|H<1>,5|C<3>}	108.8260	0.140	4	108.9289	0.023	8	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|H<1>,3|C<4>,5|C<3>}	109.0318	0.070	4	108.9289	0.023	8	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,3|H<1>,6|C<3>}	108.8840	0.318	4	108.9055	0.066	6	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){3|H<1>,7|C<3>}	108.9485	0.141	2	108.9055	0.066	6	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	107.4887	2.716	19	107.4887	7.378	19	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	108.5815	0.285	2	108.4639	0.219	17	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|N<3>,3|H<1>,5|C<3>}	108.2490	0.133	2	108.4639	0.219	17	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Cu<4>,3|H<1>,6|C<3>}	108.4483	0.531	4	108.4639	0.219	17	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	108.3910	0.587	6	108.4639	0.219	17	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	108.6953	0.510	3	108.4639	0.219	17	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2){1|Pd<4>,1|H<1>,6|C<3>}	108.0530	0.059	2	108.0530	0.004	2	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	107.6372	0.254	4	108.2180	0.898	6	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	109.3795	0.499	2	108.2180	0.898	6	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pd){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2){1|Pd<4>,1|H<1>,6|C<3>}	108.4115	0.254	2	108.4115	0.064	2	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	108.2490	0.563	3	108.2490	0.317	3	108.2225	2.583	63	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.8480	0.000	1	108.8480	0.000	1	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.4160	0.044	3	108.4626	0.020	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.5325	0.247	2	108.4626	0.020	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.3210	0.000	1	109.3210	0.000	1	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.0750	0.000	1	109.0750	0.000	1	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	107.9500	0.347	4	107.8140	0.183	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	107.2700	0.000	1	107.8140	0.183	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	108.6380	0.000	1	108.5280	0.024	2	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	108.4180	0.000	1	108.5280	0.024	2	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	108.6327	0.545	7	108.6327	0.297	7	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.4500	0.000	1	109.3317	0.021	4	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.2560	0.192	2	109.3317	0.021	4	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.3650	0.000	1	109.3317	0.021	4	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	109.0670	0.000	1	109.0670	0.000	1	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.6595	0.158	2	109.6595	0.025	2	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	108.8645	0.262	2	108.8645	0.069	2	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	109.3690	0.000	1	109.3690	0.000	1	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	109.4710	0.000	1	109.4710	0.000	1	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	109.0957	0.124	4	108.8519	0.078	16	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	108.7202	0.258	10	108.8519	0.078	16	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<3>,3|H<1>,6|C<3>}	109.0230	0.225	2	108.8519	0.078	16	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	109.1335	0.118	2	109.1335	0.014	2	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	108.8335	0.400	4	108.6177	0.134	10	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	108.4738	0.289	6	108.6177	0.134	10	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.0430	0.000	1	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.7380	0.000	1	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.7260	0.000	1	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.0220	0.035	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.9964	0.449	15	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.7960	0.359	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	108.8130	0.116	4	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	109.0900	0.294	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.1312	0.381	4	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.0206	0.850	39	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	108.3798	0.256	4	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	108.9130	0.102	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.7827	1.281	12	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.9330	0.095	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.9275	0.135	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.1272	0.395	23	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	109.2375	0.097	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	108.8185	0.268	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	108.3511	0.498	14	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	108.6049	0.377	20	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	108.3825	0.103	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	108.8755	0.095	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	108.9910	0.270	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	108.5696	0.289	54	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	108.8300	0.164	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	109.1630	0.171	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	108.5138	1.156	4	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	108.5757	0.377	6	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	108.0630	0.704	4	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	108.5503	0.494	4	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	108.7020	0.269	2	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.7257	0.320	34	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.7491	0.445	475	108.7543	0.247	747	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	108.4960	0.000	1	108.5422	0.078	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|N<2>,3|H<1>,5|C<3>}	108.3145	0.118	2	108.5422	0.078	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	108.9740	0.000	1	108.5422	0.078	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	108.6120	0.000	1	108.5422	0.078	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	108.8880	0.000	1	108.2100	0.184	68	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	108.8755	0.026	2	108.2100	0.184	68	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,1|S<2>,6|C<3>}	108.7780	0.000	1	108.2100	0.184	68	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	108.4915	0.183	2	108.2100	0.184	68	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	108.1594	0.412	62	108.2100	0.184	68	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	109.8918	0.358	5	109.8918	0.128	5	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,1|S<2>,6|C<3>}	108.6520	0.000	1	108.6520	0.000	1	108.7182	0.269	887	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:Ga-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(GaCl2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ga<3>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(GaCl2){6|C<3>}	110.6480	0.628	2	110.6480	0.394	2	110.6480	0.394	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NOO){2|H<1>,4|C<3>}	106.4215	0.057	2	106.4215	0.003	2	106.4215	0.003	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5]B[5]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5]B[5]C[5]){3|H<1>,8|C<3>}	108.3780	0.023	2	108.3780	0.001	2	108.3780	0.001	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	106.8020	0.000	1	106.8020	0.000	1	107.7884	0.156	14	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	107.8628	0.320	8	107.8642	0.082	13	107.7884	0.156	14	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	107.9710	0.130	4	107.8642	0.082	13	107.7884	0.156	14	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	107.4490	0.000	1	107.8642	0.082	13	107.7884	0.156	14	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]){2|H<1>,4|C<3>}	109.5747	0.257	4	109.5747	0.066	4	109.3654	0.179	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2){2|H<1>,4|C<3>}	109.2258	0.474	6	109.2258	0.225	6	109.3654	0.179	10	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	110.5520	0.000	1	110.5520	0.000	1	110.5520	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	106.7685	0.021	2	106.8567	0.024	3	106.8567	0.024	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	107.0330	0.000	1	106.8567	0.024	3	106.8567	0.024	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Mn<6>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	106.0900	0.000	1	106.0900	0.000	1	105.6047	0.360	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	104.9340	0.000	1	104.9340	0.000	1	105.6047	0.360	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){2|H<1>,4|C<3>}	105.7900	0.000	1	105.7900	0.000	1	105.6047	0.360	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	107.1250	0.000	2	107.1250	0.000	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	108.0920	0.000	1	108.0920	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	108.5200	0.000	1	108.5200	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	107.0340	0.000	1	107.0340	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	107.6880	0.000	1	107.9845	0.072	6	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.1570	0.000	1	107.9845	0.072	6	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.1477	0.123	3	107.9845	0.072	6	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	107.6190	0.000	1	107.9845	0.072	6	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	107.4900	0.000	1	107.8975	0.332	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|H<1>,5|C<3>}	108.3050	0.000	1	107.8975	0.332	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	107.4860	0.000	1	107.7010	0.065	3	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	107.8085	0.245	2	107.7010	0.065	3	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	106.8375	0.124	2	106.8375	0.015	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	107.6180	0.173	2	107.6180	0.030	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	107.8000	0.000	1	107.8000	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.7740	0.000	1	107.7740	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	107.6220	0.000	1	107.6220	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	107.7570	0.000	1	107.7570	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	107.6910	0.000	1	107.6910	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	107.8280	0.000	1	107.8280	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|S<2>,2|H<1>,5|C<3>}	107.5830	0.000	1	107.5830	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	107.3580	0.000	1	107.6825	0.073	4	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	107.6775	0.019	2	107.6825	0.073	4	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	108.0170	0.000	1	107.6825	0.073	4	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	107.4130	0.290	3	107.3744	0.045	11	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	107.3720	0.000	1	107.3744	0.045	11	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	107.3581	0.214	7	107.3744	0.045	11	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	108.3620	0.427	2	107.8075	0.247	6	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	107.4520	0.171	3	107.8075	0.247	6	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	107.7650	0.000	1	107.8075	0.247	6	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	107.6585	0.337	2	107.6585	0.114	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	107.5310	0.000	1	107.7242	0.104	4	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	107.3870	0.000	1	107.7242	0.104	4	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	107.9895	0.139	2	107.7242	0.104	4	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>,2|N<2>}	106.8260	0.000	1	106.8260	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){4|C<3>,4|H<1>}	108.1630	0.000	1	108.1630	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){2|H<1>,4|C<3>}	108.4790	0.000	1	107.9090	0.650	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){2|H<1>,4|C<3>}	107.3390	0.000	1	107.9090	0.650	2	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2){4|C<3>,4|H<1>}	107.6560	0.000	1	107.6560	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2){2|H<1>,4|C<3>}	107.2380	0.000	1	107.2380	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]F){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){1|H<1>,1|I<1>,4|C<3>}	107.3870	0.000	1	107.3870	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|H<1>,6|C<3>}	108.1020	0.000	1	108.1020	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	107.8630	0.000	1	107.8630	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	108.1040	0.000	1	108.1040	0.000	1	107.6520	0.170	64	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	107.1780	0.000	1	107.1833	0.054	3	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	107.1860	0.330	2	107.1833	0.054	3	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	107.1760	0.000	1	107.1760	0.000	1	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	107.7005	0.088	2	107.7005	0.008	2	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	107.3170	0.000	1	107.3170	0.000	1	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N){2|H<1>,5|C<3>}	107.8290	0.000	1	107.8290	0.000	1	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	107.8160	0.116	2	107.8160	0.013	2	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	107.3260	0.107	2	107.3260	0.012	2	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	107.7040	0.000	2	107.7040	0.000	2	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	108.3360	0.000	1	107.6528	0.157	5	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	107.3550	0.000	1	107.6528	0.157	5	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	107.4970	0.000	1	107.6528	0.157	5	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	107.4360	0.000	1	107.6528	0.157	5	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	107.6400	0.000	1	107.6528	0.157	5	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5]){1|C<4>,4|H<1>,5|C<3>}	107.7320	0.000	1	107.7320	0.000	1	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	107.4080	0.000	1	107.3795	0.002	2	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	107.3510	0.000	1	107.3795	0.002	2	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	106.7670	0.000	1	106.7670	0.000	1	107.4994	0.113	23	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	106.1840	0.000	1	106.1840	0.000	1	106.1840	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.1410	0.000	1	109.1410	0.000	1	109.4480	0.188	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	109.7550	0.000	1	109.7550	0.000	1	109.4480	0.188	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]C[5a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	108.0520	0.000	1	108.0520	0.000	1	108.0808	0.383	9	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	108.7120	0.751	2	108.7120	0.564	2	108.0808	0.383	9	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	108.3860	0.000	1	108.3860	0.000	1	108.0808	0.383	9	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a]){2|N<3>,3|H<1>,4|C<3>}	107.5812	0.364	4	107.5812	0.132	4	108.0808	0.383	9	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	108.5400	0.000	1	108.5400	0.000	1	108.0808	0.383	9	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	107.0980	0.000	1	107.0980	0.000	1	106.8078	2.244	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	106.7498	1.667	5	106.7498	2.780	5	106.8078	2.244	6	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	106.1270	0.000	1	106.1270	0.000	1	106.4025	0.152	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	106.6780	0.000	1	106.6780	0.000	1	106.4025	0.152	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.1233	0.735	3	108.1233	0.541	3	108.1233	0.541	3	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	108.7952	0.350	6	108.8028	0.087	12	108.8052	0.084	14	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	108.8103	0.263	6	108.8028	0.087	12	108.8052	0.084	14	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<6>,3|H<1>,4|B<6>,5|C<3>}	108.8200	0.362	2	108.8200	0.131	2	108.8052	0.084	14	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	108.3655	0.111	2	108.3655	0.012	2	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	108.2960	0.313	4	108.2960	0.098	4	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	108.5730	0.085	2	108.3355	0.040	8	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	108.2563	0.159	6	108.3355	0.040	8	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	108.7647	0.211	8	108.7647	0.044	8	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	108.5085	0.409	2	108.5085	0.168	2	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	108.1535	0.056	4	108.1535	0.003	4	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Li<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Li<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	107.8090	0.307	4	107.8090	0.094	4	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	108.6045	0.217	4	108.6045	0.047	4	108.3889	0.128	36	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){2|H<1>,4|C<3>}	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.4280	0.000	1	108.4280	0.000	1	108.4760	0.005	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.5240	0.000	1	108.5240	0.000	1	108.4760	0.005	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCO)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCO){2|H<1>,4|C<3>}	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	107.9570	0.000	1	107.9570	0.000	1	108.2935	0.226	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	108.6300	0.000	1	108.6300	0.000	1	108.2935	0.226	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	110.1720	0.000	1	110.1720	0.000	1	109.6845	0.475	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(N[6a]C[6a]C){1|N<3>,2|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]N[6a]O){2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	109.1970	0.000	1	109.1970	0.000	1	109.6845	0.475	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO){1|H<1>,5|C<3>}	107.2010	0.000	1	107.2010	0.000	1	107.2010	0.000	1	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.2910	0.000	1	107.2910	0.000	1	107.1969	0.195	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	107.1170	0.048	2	107.1170	0.002	2	107.1969	0.195	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.8620	0.000	1	107.8620	0.000	1	107.1969	0.195	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.5180	0.000	1	107.5180	0.000	1	107.1969	0.195	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	106.7365	0.419	2	106.7365	0.176	2	107.1969	0.195	7	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|H<1>,1|O<2>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.8225	0.194	2	108.8225	0.038	2	108.8225	0.038	2	108.3651	0.769	1556	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[4,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[4,6a]C[4,6a]C[4,5])(N[5a]C[5a,6a]C){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.3020	0.000	1	108.3540	0.005	2	108.3540	0.005	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5,6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.4060	0.000	1	108.3540	0.005	2	108.3540	0.005	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	108.7530	0.000	1	108.7530	0.000	1	108.7530	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	108.3110	0.000	1	108.3110	0.000	1	108.2373	0.056	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|N<2>,2|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	108.2005	0.322	2	108.2005	0.104	2	108.2373	0.056	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5])	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5]){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CH3){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	107.6630	0.484	2	107.6630	0.234	2	107.6630	0.234	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	107.2260	0.000	1	107.6855	0.422	2	108.5805	0.843	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	108.1450	0.000	1	107.6855	0.422	2	108.5805	0.843	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	108.4555	0.035	2	108.4555	0.001	2	108.5805	0.843	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	109.6005	0.282	2	109.6005	0.080	2	108.5805	0.843	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|O<2>,4|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.6090	0.000	1	109.3480	0.136	2	108.9715	0.234	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|O<2>,4|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.0870	0.000	1	109.3480	0.136	2	108.9715	0.234	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.6050	0.000	1	108.5950	0.000	2	108.9715	0.234	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C[6]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,1|O<1>,2|C<4>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	108.5850	0.000	1	108.5950	0.000	2	108.9715	0.234	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	108.4355	0.090	2	108.7630	0.326	3	108.6813	0.459	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	109.4180	0.000	1	108.7630	0.326	3	108.6813	0.459	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	108.8450	1.380	2	108.8450	1.905	2	108.6813	0.459	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	107.7370	0.000	1	108.1785	0.390	2	108.6813	0.459	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	108.6200	0.000	1	108.1785	0.390	2	108.6813	0.459	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	108.8980	0.236	2	108.8980	0.056	2	108.6813	0.459	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	108.7850	0.000	1	108.7850	0.000	1	109.1945	1.618	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	108.6180	0.000	1	108.6180	0.000	1	109.1945	1.618	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	108.4495	0.284	4	108.4495	0.081	4	109.1945	1.618	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	111.6760	0.000	1	111.6760	0.000	1	109.1945	1.618	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	110.6790	0.000	1	110.6790	0.000	1	109.1945	1.618	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	105.8204	0.417	5	105.8204	0.174	5	105.9857	0.214	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,3|C<3>}	105.7200	0.000	1	105.7200	0.000	1	105.9857	0.214	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	106.5320	0.025	2	106.5320	0.001	2	105.9857	0.214	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	108.4840	0.380	2	108.4840	0.145	2	108.9843	0.823	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.9850	0.000	1	109.9850	0.000	1	108.9843	0.823	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]2){1|H<1>,1|S<4>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.1790	0.000	1	109.1790	0.000	1	108.4334	0.231	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.0980	0.000	1	109.0980	0.000	1	108.4334	0.231	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	108.5550	0.000	1	108.5550	0.000	1	108.4334	0.231	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.1995	0.326	2	108.1995	0.106	2	108.4334	0.231	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	108.1040	0.000	1	108.1040	0.000	1	108.4334	0.231	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	108.0660	0.089	2	108.0660	0.008	2	108.4334	0.231	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.1100	0.000	1	109.1100	0.000	1	109.1320	0.001	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.1540	0.000	1	109.1540	0.000	1	109.1320	0.001	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	107.7135	0.252	2	107.7135	0.064	2	107.7135	0.064	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|Ir<9>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|Ir<9>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3){1|C<4>,3|C<3>}	106.6445	0.091	2	106.6445	0.008	2	106.6445	0.008	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|S<2>,2|H<1>,3|C<3>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	108.2750	0.000	1	108.2750	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.6860	0.232	2	109.2820	0.548	4	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.8780	0.413	2	109.2820	0.548	4	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.6890	0.000	1	108.6890	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	108.8340	0.000	1	108.8340	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	108.4800	0.000	1	108.4800	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	107.5960	0.000	1	107.5960	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.2640	0.000	1	108.2640	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.2390	0.000	1	108.2390	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.7580	0.000	1	109.7580	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.2118	0.128	5	109.2118	0.016	5	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	108.8160	0.000	1	108.8160	0.000	1	108.8966	0.393	18	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.2045	0.005	2	108.2045	0.000	2	108.2164	0.157	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.2730	0.916	2	108.2730	0.840	2	108.2164	0.157	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.1940	0.290	4	108.1940	0.084	4	108.2164	0.157	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3){2|C<3>,2|H<1>}	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|B<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.1910	0.000	1	107.1910	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	107.5220	0.000	1	107.5220	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	107.1055	0.095	2	107.1055	0.009	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	107.1315	0.112	2	107.1315	0.013	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,3|C<3>}	107.7110	0.000	1	107.7110	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	107.8870	0.033	3	107.8870	0.001	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	108.1900	0.000	1	108.1900	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.2270	0.132	2	107.2270	0.017	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|N<2>,2|C<3>}	107.7963	0.492	4	107.7963	0.242	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	107.4940	0.000	1	107.4695	0.001	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	107.4450	0.000	1	107.4695	0.001	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	108.2220	0.314	2	108.2220	0.099	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	107.6290	0.000	1	107.6290	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9940	0.000	1	107.9940	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|S<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.8675	0.247	2	107.8675	0.061	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.0710	0.000	1	107.9560	0.058	6	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.9000	0.291	4	107.9560	0.058	6	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.0650	0.000	1	107.9560	0.058	6	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	108.3580	0.000	1	108.4483	0.096	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	108.4783	0.373	3	108.4483	0.096	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	107.3560	0.478	2	107.3560	0.228	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH){1|Br<1>,1|H<1>,2|C<3>}	108.5290	0.000	1	108.5290	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>,2|C<3>}	108.8240	0.000	1	108.8240	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	108.1685	0.443	2	108.5493	0.259	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	108.9300	0.038	2	108.5493	0.259	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.7447	0.320	3	108.7597	0.069	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.8050	0.000	1	108.7597	0.069	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	108.0000	0.000	1	108.0000	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1070	0.000	1	108.3187	0.068	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.6100	0.000	1	108.3187	0.068	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.2390	0.000	1	108.3187	0.068	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	108.1640	0.000	1	108.1640	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|C<4>,1|H<1>,4|C<3>}	108.0845	0.095	2	108.1847	0.035	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|O<2>,4|C<3>}	108.3850	0.000	1	108.1847	0.035	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6600	0.064	2	107.9620	0.276	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|H<1>,3|C<3>}	108.5660	0.000	1	107.9620	0.276	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	108.5760	0.000	1	108.4890	0.015	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	108.4020	0.000	1	108.4890	0.015	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.8000	0.136	5	107.9550	0.064	10	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	108.1990	0.220	3	107.9550	0.064	10	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.7490	0.000	1	107.9550	0.064	10	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.2040	0.000	1	107.9550	0.064	10	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	107.1410	0.000	1	107.1410	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.6010	0.000	1	107.4938	0.040	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.3760	0.150	3	107.4938	0.040	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	107.7400	0.000	1	107.4938	0.040	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.3380	0.226	2	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.4620	0.000	1	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	108.7830	0.127	2	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.7580	0.236	2	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9190	0.000	1	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.8060	0.000	1	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.8178	0.359	12	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.7800	0.106	2	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.1708	0.412	11	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.3483	0.485	6	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.8480	0.000	1	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.6183	0.156	3	108.1362	0.207	44	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){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]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	108.0780	0.000	1	108.0780	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.2270	0.000	1	107.9382	0.049	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.0780	0.000	1	107.9382	0.049	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	107.7953	0.129	3	107.9382	0.049	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	108.0878	0.233	11	108.0878	0.054	11	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,1|H<1>,4|C<3>}	108.3580	0.000	1	108.3026	0.058	13	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	108.2678	0.399	4	108.3026	0.058	13	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.5490	0.117	2	108.3026	0.058	13	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	108.2345	0.104	6	108.3026	0.058	13	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	107.2480	0.000	1	107.2480	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.8070	0.000	1	108.0773	0.184	18	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.9687	0.551	7	108.0773	0.184	18	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	108.3680	0.459	4	108.0773	0.184	18	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	108.0552	0.190	6	108.0773	0.184	18	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.4680	0.000	1	107.7877	0.098	33	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.6050	0.000	1	107.7877	0.098	33	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.5905	0.177	8	107.7877	0.098	33	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	107.2410	0.000	1	107.7877	0.098	33	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	107.9070	0.298	22	107.7877	0.098	33	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6290	0.468	4	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.8758	0.350	5	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.2363	0.335	6	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.7979	0.333	32	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.1035	0.637	4	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.3628	0.325	4	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.8852	0.333	36	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.6570	0.000	1	107.8939	0.142	92	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	107.4400	0.000	1	107.8830	0.392	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	108.3260	0.000	1	107.8830	0.392	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3){1|H<1>,3|C<3>}	108.9653	0.725	3	108.9653	0.526	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	109.9480	0.000	1	109.9480	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9350	0.000	1	107.9350	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	108.0430	0.000	1	108.0430	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH){1|H<1>,3|C<3>}	107.9035	0.175	2	107.9035	0.031	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){1|H<1>,3|C<3>}	109.3530	0.000	1	109.3530	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Rh<8>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3){1|H<1>,3|C<3>}	108.5050	0.000	1	108.5050	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.3627	0.521	3	108.3627	0.272	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	107.4820	0.000	1	107.6075	0.032	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	107.7330	0.000	1	107.6075	0.032	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO){2|C<3>,2|H<1>,3|C<4>}	106.9830	0.000	1	106.9830	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.2670	0.000	1	107.2670	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6800	0.000	1	107.6800	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.4140	0.000	1	108.4140	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	109.6110	0.000	1	109.6110	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9220	0.000	1	108.0846	0.098	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.2873	0.219	3	108.0846	0.098	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.0655	0.274	2	108.0846	0.098	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	107.9487	0.454	3	108.0846	0.098	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.4860	0.000	1	108.2335	0.128	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	107.9810	0.000	1	108.2335	0.128	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	108.4850	0.000	1	108.4850	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	107.7216	0.547	5	107.7216	0.299	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.9790	0.000	1	107.8799	0.060	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.9410	0.000	1	107.8799	0.060	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.9580	0.000	1	107.8799	0.060	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.5920	0.000	1	107.8799	0.060	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	108.0390	0.000	1	107.8799	0.060	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.6355	0.343	2	107.8799	0.060	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	108.0695	0.202	2	107.8799	0.060	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1213	1.404	3	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.8425	2.006	2	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.5060	0.000	1	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.8696	0.221	8	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.8732	0.313	4	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.0410	0.000	1	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1045	0.202	2	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6892	0.246	5	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.5715	0.059	2	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.8347	1.083	4	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.8090	0.000	1	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.1200	0.118	4	108.0398	0.502	37	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.2570	0.000	1	108.4830	0.102	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.7090	0.000	1	108.4830	0.102	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH){1|C<4>,1|H<1>,4|C<3>}	107.5900	0.000	1	107.5900	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.6130	0.000	1	107.6130	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1680	0.000	1	107.8715	0.060	8	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9000	0.000	1	107.8715	0.060	8	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.8320	0.000	1	107.8715	0.060	8	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.0955	0.094	2	107.8715	0.060	8	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6270	0.141	3	107.8715	0.060	8	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	107.7900	0.000	1	107.7900	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|H<1>,3|C<3>}	108.4020	0.222	4	108.4020	0.049	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	108.2330	0.000	1	108.2330	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.3210	0.000	1	108.3210	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	107.6320	0.000	1	107.6320	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.0200	0.000	1	108.5650	0.594	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.1100	0.000	1	108.5650	0.594	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	107.7310	0.000	1	107.7310	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	107.6640	0.000	1	107.6640	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.9752	0.256	5	107.9368	0.046	12	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.9093	0.195	7	107.9368	0.046	12	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	108.0620	0.000	1	108.0620	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	108.4863	0.168	3	108.4863	0.028	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	108.6650	0.000	1	108.5465	0.028	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	108.4280	0.000	1	108.5465	0.028	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.9850	0.000	1	107.9850	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	108.7490	0.000	1	108.7490	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	107.8390	0.262	2	107.8390	0.068	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	108.4390	0.000	1	108.4390	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){2|H<1>,4|C<3>}	108.0795	0.059	2	108.0795	0.003	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	108.5880	0.330	2	108.4840	0.051	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	108.3800	0.024	2	108.4840	0.051	4	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	107.5830	0.000	1	108.0420	0.421	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	108.5010	0.000	1	108.0420	0.421	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	108.0660	0.004	2	108.2724	0.142	8	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	108.3412	0.420	6	108.2724	0.142	8	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	107.1780	0.000	1	107.1780	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	108.0630	0.000	1	107.9455	0.028	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){3|H<1>,4|C<3>}	107.8280	0.000	1	107.9455	0.028	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){2|H<1>,4|C<3>}	107.5100	0.000	1	107.5100	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	108.1740	0.039	3	108.1740	0.001	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|N<2>,2|H<1>,3|C<3>}	108.5445	0.351	2	108.2833	0.066	7	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	108.1788	0.145	5	108.2833	0.066	7	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	108.0557	0.400	3	108.0557	0.160	3	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	107.6950	0.000	1	107.6950	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	108.4850	0.000	1	108.4850	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	107.7710	0.000	1	107.7710	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	107.9560	0.139	2	107.9417	0.073	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	108.0150	0.000	1	107.9417	0.073	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	107.7835	0.242	4	107.9417	0.073	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	108.2070	0.380	2	107.9417	0.073	9	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN){2|C<3>,2|H<1>}	109.0020	0.000	1	109.0020	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<2>,2|H<1>,3|C<3>}	108.5110	0.000	1	108.5110	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	107.8790	0.000	1	107.8790	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){2|C<3>,2|H<1>}	108.5520	0.000	1	108.5520	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){2|C<3>,2|H<1>}	106.7610	0.000	1	106.7610	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN){2|C<3>,2|H<1>}	106.7590	0.000	1	106.7590	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	107.9917	0.268	4	108.1151	0.087	7	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	108.4510	0.000	1	108.1151	0.087	7	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	108.1940	0.349	2	108.1151	0.087	7	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	107.8670	0.011	2	107.8670	0.000	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|I<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|I<1>,2|C<3>}	107.5420	0.000	1	107.5420	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	108.4007	0.254	6	108.4007	0.064	6	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	109.0266	0.175	5	109.0266	0.031	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	108.5980	0.000	1	108.2910	0.188	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	107.9840	0.000	1	108.2910	0.188	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	108.5680	0.000	1	109.2578	0.644	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	109.2900	0.000	1	109.2578	0.644	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	110.0405	0.226	2	109.2578	0.644	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	108.3500	0.000	1	109.2578	0.644	5	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	109.9160	0.000	1	109.9160	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	108.0410	0.000	1	108.0410	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	108.5510	0.000	1	108.5510	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	108.1355	0.132	2	108.1355	0.017	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	108.5000	0.000	1	108.5000	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]N[6a]O){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	109.1738	0.605	6	109.1738	0.366	6	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	107.5170	0.000	1	107.5170	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|S<3>,2|C<3>}	108.0320	0.000	1	108.0320	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|S<2>,2|C<3>}	108.1690	0.000	1	108.1690	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	108.4980	0.000	1	108.4980	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	108.0430	0.000	1	108.0430	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|S<2>,2|C<3>}	108.4415	0.060	2	108.4415	0.004	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	108.0970	0.000	1	108.0970	0.000	1	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	107.5336	0.226	7	107.5336	0.051	7	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	107.9815	0.087	2	107.9815	0.008	2	108.0555	0.270	534	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	106.6590	0.000	1	106.9127	0.116	3	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	107.0395	0.368	2	106.9127	0.116	3	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|F<1>,1|H<1>,1|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<2>,1|H<1>,2|C<3>}	106.4740	0.000	1	106.5215	0.005	2	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<4>,1|H<1>,2|C<3>}	106.5690	0.000	1	106.5215	0.005	2	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(PC[6a]2Rh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	107.3670	0.446	3	107.3670	0.199	3	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cr)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cr){1|C<4>,1|H<1>,2|C<3>}	108.0580	0.000	1	108.0580	0.000	1	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cu)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cu){1|C<4>,1|H<1>,2|C<3>}	107.8835	0.037	2	107.8835	0.001	2	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	107.8920	0.169	10	107.8920	0.029	10	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Ru){1|C<4>,1|H<1>,2|C<3>}	108.0787	0.348	3	108.0787	0.121	3	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PN[5a]2Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PN[5a]2Ru){1|C<4>,1|H<1>,2|C<3>}	107.6603	0.159	3	107.6603	0.025	3	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	107.9233	0.225	3	107.9233	0.051	3	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	108.2170	0.000	1	108.0457	0.049	4	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	107.9887	0.233	3	108.0457	0.049	4	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO){2|C<3>,2|H<1>}	107.5192	0.286	6	107.5192	0.082	6	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3){2|C<3>,2|H<1>}	107.7420	0.000	1	107.7420	0.000	1	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni){1|C<4>,1|P<4>,2|C<3>}	109.2090	0.000	1	109.2090	0.000	1	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,1|P<4>,2|C<3>}	105.8670	0.000	1	105.8670	0.000	1	107.6681	0.339	43	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	107.6340	0.000	1	107.6340	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	107.5370	0.426	8	107.5370	0.182	8	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	107.7780	0.000	1	107.7780	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.1960	0.000	1	106.9583	0.436	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.3560	0.000	1	106.9583	0.436	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	107.3230	0.000	1	106.9583	0.436	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.0800	0.000	1	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	107.0747	0.483	4	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	107.4855	0.110	2	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.3540	0.000	1	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.0644	0.469	14	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.4640	0.075	2	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.2371	0.445	26	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	106.8580	0.000	1	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.3240	0.757	4	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.2620	0.356	4	107.2186	0.211	59	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	106.9753	0.565	4	106.9753	0.319	4	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	107.3585	0.431	2	107.3585	0.185	2	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	107.7843	0.398	3	107.8200	0.111	4	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	107.9270	0.000	1	107.8200	0.111	4	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.9335	0.542	2	106.6862	0.370	17	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.7815	0.223	4	106.6862	0.370	17	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	106.6065	0.724	11	106.6862	0.370	17	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.5763	0.259	3	106.5763	0.067	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(SCOO){1|C<4>,1|H<1>,2|C<3>}	107.7450	0.000	1	107.7450	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.8110	0.000	1	106.9417	0.029	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.0070	0.182	2	106.9417	0.029	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.0820	0.000	1	106.8740	0.087	2	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.6660	0.000	1	106.8740	0.087	2	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.5850	0.000	1	107.0687	0.340	6	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.3900	0.660	2	107.0687	0.340	6	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.0960	0.000	1	107.0687	0.340	6	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.2660	0.000	1	107.0687	0.340	6	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.6850	0.000	1	107.0687	0.340	6	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO){1|H<1>,3|C<3>}	107.3830	0.000	1	107.3830	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	106.7640	0.000	1	107.4510	0.370	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.7945	0.177	2	107.4510	0.370	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	106.8580	0.000	1	106.8620	0.134	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	107.2300	0.000	1	106.8620	0.134	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	106.4980	0.000	1	106.8620	0.134	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SCOO){1|H<1>,3|C<3>}	107.0885	0.210	2	107.0885	0.044	2	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.8720	0.000	1	107.8720	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	107.6285	0.562	2	107.6285	0.316	2	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	107.0532	0.202	6	106.9130	0.119	11	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	106.7448	0.425	5	106.9130	0.119	11	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	107.6590	0.000	1	107.6590	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO){2|H<1>,4|C<3>}	108.9283	2.270	3	108.9283	5.151	3	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	107.2700	0.000	1	107.2700	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	106.7920	0.076	2	106.8972	0.027	4	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	107.1270	0.000	1	106.8972	0.027	4	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	106.8780	0.000	1	106.8972	0.027	4	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	107.0880	0.000	1	107.0880	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|H<1>,2|I<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	107.2490	0.000	1	107.2490	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	107.3500	0.000	1	107.3500	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO){1|H<1>,1|N<3>,2|C<3>}	106.8620	0.000	1	106.8620	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	106.9750	0.000	1	106.9750	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	107.3998	0.318	6	107.6386	0.483	7	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	109.0710	0.000	1	107.6386	0.483	7	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	108.6720	0.000	1	108.6720	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	107.3520	0.000	1	107.3520	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.8660	0.000	1	106.8660	0.000	1	107.2010	0.408	161	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.8542	0.260	5	107.8542	0.068	5	107.6965	0.092	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	107.5840	0.000	1	107.5840	0.000	1	107.6965	0.092	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.3585	0.078	2	107.3585	0.006	2	107.6965	0.092	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,3|C<3>}	109.9260	0.000	1	109.9260	0.000	1	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.8010	0.000	1	107.8010	0.000	1	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[5])(C[5a]C[5a]C){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.9975	0.176	2	107.9975	0.031	2	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.0020	0.168	2	107.7962	0.211	10	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.7915	0.603	2	107.7962	0.211	10	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1940	0.233	2	107.7962	0.211	10	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6440	0.463	3	107.7962	0.211	10	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.0550	0.000	1	107.7962	0.211	10	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){2|C<3>,2|H<1>}	108.1710	0.211	3	108.1710	0.044	3	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	107.5770	0.000	1	107.5770	0.000	1	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|Se<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<2>,3|C<3>}	107.7525	0.136	2	107.7525	0.019	2	107.9639	0.345	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	106.4930	0.000	1	106.4930	0.000	1	106.6313	0.133	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.7005	0.487	2	106.7005	0.237	2	106.6313	0.133	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	B[5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,4|B<6>}	108.8410	0.227	4	108.8410	0.052	4	108.8353	0.036	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	B[5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,5|B<6>}	108.8240	0.161	2	108.8240	0.026	2	108.8353	0.036	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.2145	0.491	2	108.2145	0.242	2	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	108.5437	0.274	24	108.5437	0.075	24	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.5795	0.201	31	108.5795	0.040	31	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.4452	0.224	18	108.4452	0.050	18	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.5380	0.245	2	108.5380	0.060	2	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.1499	0.588	7	108.0311	0.316	9	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	107.6155	0.095	2	108.0311	0.316	9	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.3944	0.115	8	108.3944	0.013	8	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.2365	1.300	2	108.2365	1.691	2	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|C<4>,1|H<1>,2|C<3>}	107.7609	0.362	14	107.7609	0.131	14	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP){1|C<4>,1|H<1>,2|C<3>}	107.7950	0.199	18	107.7950	0.040	18	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	107.8892	0.319	14	107.8892	0.101	14	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.2670	0.143	2	108.2670	0.020	2	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|C<4>,1|H<1>,2|C<3>}	107.9425	0.733	4	107.9425	0.537	4	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.2505	0.391	2	108.2505	0.153	2	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	107.7925	0.503	4	107.7925	0.253	4	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.1070	0.245	2	108.1064	0.057	8	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.2495	0.019	2	108.1064	0.057	8	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.0345	0.304	4	108.1064	0.057	8	108.2264	0.199	162	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	105.8810	0.000	1	105.8810	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	105.9560	0.000	1	105.9560	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	105.8740	0.194	2	105.8740	0.038	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	106.3410	0.000	1	106.3410	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	105.9910	0.000	1	105.9910	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,3|C<3>}	106.1720	0.000	1	106.1720	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|F<1>,1|H<1>,2|C<3>}	106.5005	0.865	2	106.5005	0.748	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.3250	0.000	1	107.7265	0.322	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1280	0.000	1	107.7265	0.322	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	107.5310	0.000	1	107.5310	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH){1|C<4>,1|H<1>,2|C<3>}	106.6940	0.000	1	106.6940	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	106.9345	0.569	2	107.0121	0.160	22	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	106.8225	0.460	2	107.0121	0.160	22	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	106.9809	0.321	15	107.0121	0.160	22	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	106.7670	0.000	1	107.0121	0.160	22	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.1670	0.000	1	107.0121	0.160	22	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	108.1040	0.000	1	107.0121	0.160	22	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	106.6405	0.409	2	106.6405	0.168	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	107.0325	0.285	10	106.9621	0.092	14	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	106.8045	0.066	2	106.9621	0.092	14	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	106.7680	0.539	2	106.9621	0.092	14	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	106.6845	0.951	2	107.2296	0.398	7	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.0755	0.045	2	107.2296	0.398	7	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	107.6957	0.309	3	107.2296	0.398	7	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO){1|C<4>,1|H<1>,2|C<3>}	106.8973	0.144	3	106.8973	0.021	3	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS){1|C<4>,1|H<1>,2|C<3>}	106.9740	0.397	2	106.9740	0.158	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH){1|H<1>,3|C<3>}	106.6935	0.066	2	106.6935	0.004	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3){2|C<3>,2|H<1>}	107.1330	0.000	1	107.1330	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	107.1190	0.000	1	106.8646	0.107	15	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	106.7618	0.328	6	106.8646	0.107	15	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	106.9099	0.340	8	106.8646	0.107	15	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){2|C<3>,2|H<1>}	107.0615	0.039	2	107.0615	0.002	2	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO){2|C<3>,2|H<1>}	106.2140	0.000	1	106.2140	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	107.0480	0.000	1	107.0480	0.000	1	106.8930	0.234	85	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(SC[6a]OO){2|C<3>,2|H<1>}	105.0930	0.000	1	105.0930	0.000	1	105.0930	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH){1|H<1>,3|C<3>}	108.7500	0.000	1	108.7500	0.000	1	108.0665	0.291	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|H<1>,3|C<3>}	107.7100	0.387	2	107.7100	0.150	2	108.0665	0.291	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|H<1>,3|C<3>}	108.0960	0.000	1	108.0960	0.000	1	108.0665	0.291	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,3|C<3>}	106.7960	0.000	1	106.7960	0.000	1	107.2073	0.235	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	107.7420	0.000	1	107.7420	0.000	1	107.2073	0.235	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	107.0840	0.000	1	107.0840	0.000	1	107.2073	0.235	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	107.0430	0.000	1	107.0430	0.000	1	107.2855	0.118	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<2>,2|H<1>}	107.5280	0.000	1	107.5280	0.000	1	107.2855	0.118	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	112.1020	0.000	1	112.1020	0.000	1	112.1020	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|B<3>,1|H<1>,4|C<3>}	107.8230	0.000	1	107.8230	0.000	1	108.3515	0.422	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.6860	0.208	2	108.6860	0.043	2	108.3515	0.422	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.5760	0.000	1	109.5760	0.000	1	108.3515	0.422	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	108.3220	0.000	1	108.1240	0.288	6	108.3515	0.422	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	108.4680	0.000	1	108.1240	0.288	6	108.3515	0.422	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	108.1550	0.000	1	108.1240	0.288	6	108.3515	0.422	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	107.9330	0.766	3	108.1240	0.288	6	108.3515	0.422	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	109.0035	0.607	2	109.0035	0.369	2	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	109.4630	0.000	1	109.4630	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|H<1>,4|C<3>}	109.2080	0.000	1	109.2080	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH){1|H<1>,5|C<3>}	109.4260	0.000	1	109.4260	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	109.1080	0.000	1	109.0714	0.015	5	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	109.0220	0.000	2	109.0714	0.015	5	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){2|C<4>,2|H<1>,3|C<3>}	108.9390	0.000	1	109.0714	0.015	5	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,6|C<3>}	109.2660	0.000	1	109.0714	0.015	5	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	108.8980	0.000	1	108.8980	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.9300	0.000	1	108.9300	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,3|C<3>,3|C<4>}	109.6960	0.000	1	108.9529	0.201	8	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	108.1400	0.000	1	108.9529	0.201	8	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	108.6060	0.000	1	108.9529	0.201	8	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	109.0530	0.000	1	108.9529	0.201	8	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	109.1670	0.000	1	108.9529	0.201	8	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.0390	0.010	2	108.9529	0.201	8	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,6|C<3>}	108.8830	0.000	1	108.9529	0.201	8	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	109.5660	0.000	1	109.5660	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3){1|H<1>,2|C<3>,2|C<4>}	109.3250	0.000	1	109.3250	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	108.9785	0.059	2	108.9785	0.003	2	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	108.1400	0.000	1	108.1400	0.000	1	109.0360	0.145	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.8390	0.549	2	107.8390	0.301	2	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.6460	0.000	1	108.6460	0.000	1	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	107.5750	0.000	1	107.9305	0.167	4	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	108.2325	0.363	2	107.9305	0.167	4	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.6820	0.000	1	107.9305	0.167	4	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){3|H<1>,4|C<3>}	108.8790	0.000	1	108.8790	0.000	1	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,6|C<3>}	108.4140	0.000	1	108.4140	0.000	1	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.0260	0.000	1	108.0260	0.000	1	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	108.6430	0.000	1	108.6430	0.000	1	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.5090	0.000	1	107.7407	0.080	9	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.3760	0.000	1	107.7407	0.080	9	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	107.8665	0.098	2	107.7407	0.080	9	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,3|C<3>,3|C<4>}	107.6190	0.000	1	107.7407	0.080	9	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	107.6915	0.131	2	107.7407	0.080	9	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	108.3500	0.000	1	107.7407	0.080	9	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|H<1>,5|C<3>}	107.6960	0.000	1	107.7407	0.080	9	107.9837	0.205	20	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3){1|H<1>,2|C<3>,4|C<4>}	110.7720	0.000	2	110.7720	0.000	2	110.7720	0.000	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	109.8040	0.000	1	109.8040	0.000	1	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.7710	0.000	1	109.7710	0.000	1	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.1200	0.000	1	109.1200	0.000	1	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.8500	0.000	1	109.8500	0.000	1	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	109.4330	0.000	1	109.4330	0.000	1	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	109.3260	0.073	3	109.2710	0.011	5	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	109.1885	0.107	2	109.2710	0.011	5	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	109.1420	0.000	1	109.1420	0.000	1	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	110.7990	0.915	2	110.7990	0.837	2	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<2>,4|C<3>}	110.4620	0.000	1	110.4620	0.000	1	109.6811	0.427	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	110.0550	0.000	1	110.0550	0.000	1	109.6765	0.287	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.6765	0.287	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.7846	0.187	5	109.7846	0.035	5	109.7917	0.028	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	109.8270	0.000	1	109.8270	0.000	1	109.7917	0.028	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3){2|C<3>,2|H<1>,3|C<4>}	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|H<1>,4|C<3>}	109.2955	0.252	2	109.2955	0.064	2	109.2955	0.064	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|N<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	107.8040	0.000	1	107.8040	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|H<2>,1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	109.2520	0.000	1	109.2520	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	108.7410	0.000	1	108.7410	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	108.9680	0.000	1	108.9680	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	108.1650	0.000	1	108.1650	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	108.3425	0.022	2	108.3425	0.000	2	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	108.5340	0.000	1	108.4940	0.088	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.6815	0.139	2	108.4940	0.088	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	108.0790	0.000	1	108.4940	0.088	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	108.5280	0.000	1	108.5280	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.5750	0.000	1	108.5750	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.2747	0.405	3	108.2747	0.164	3	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	108.7130	0.000	1	108.7130	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	108.4880	0.049	2	108.3194	0.138	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.6840	0.000	1	108.3194	0.138	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.4685	0.210	2	108.3194	0.138	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	108.0180	0.000	1	108.3154	0.272	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	108.3390	0.688	3	108.3154	0.272	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	108.5420	0.000	1	108.3154	0.272	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	108.7190	0.000	1	108.7190	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.6560	0.000	1	107.6560	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.7810	0.000	1	108.3256	0.157	10	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	108.3580	0.000	1	108.3256	0.157	10	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	108.3610	0.000	1	108.3256	0.157	10	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.1715	0.425	6	108.3256	0.157	10	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<3>,4|C<4>}	108.7270	0.000	1	108.3256	0.157	10	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|H<1>,4|C<3>}	108.2610	0.000	1	108.0132	0.065	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	107.6630	0.000	1	108.0132	0.065	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|N<3>,2|H<1>,4|C<3>}	108.0100	0.000	1	108.0132	0.065	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	108.1190	0.000	1	108.0132	0.065	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.7840	0.000	1	108.3220	0.427	2	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.8600	0.000	1	108.3220	0.427	2	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	109.2175	1.353	2	108.8636	0.679	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.1430	0.000	1	108.8636	0.679	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.6290	0.000	1	108.8636	0.679	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	109.1110	0.000	1	108.8636	0.679	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.2740	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.0340	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.7040	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	108.3360	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.1690	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.3220	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	107.9100	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	108.7870	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.6825	0.076	2	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.6660	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.9550	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	108.4805	0.418	2	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	108.1685	0.317	2	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	108.0390	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	108.7810	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	108.1120	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	109.0020	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.8480	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.4055	0.170	2	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,4|C<3>}	108.6950	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	109.4300	0.000	1	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	110.0615	1.160	2	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	109.2600	0.238	2	108.6269	0.376	29	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.9430	0.000	1	107.9430	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	109.1670	0.000	1	109.1670	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	108.7120	0.000	1	108.7120	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,4|C<3>}	108.5700	0.000	1	108.5700	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	108.3710	0.000	1	108.2748	0.117	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	108.0907	0.272	3	108.2748	0.117	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	108.7310	0.000	1	108.2748	0.117	5	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.7750	0.000	1	108.7750	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH){2|C<3>,2|H<1>,3|C<4>}	108.2852	0.367	4	108.2852	0.135	4	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	110.4330	0.502	2	110.4330	0.252	2	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.0780	0.000	1	109.0780	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH){1|H<1>,1|N<3>,3|C<3>}	110.1820	0.000	1	110.1820	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3){1|B<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	109.4310	0.000	1	109.4310	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	109.6680	0.000	1	109.6680	0.000	1	108.5570	0.385	99	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]2Hf)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H){1|Hf<12>,1|C<3>,2|H<1>,4|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]2Hf){2|C<3>,4|C<4>,5|H<1>}	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	107.9960	0.000	1	107.5840	0.339	2	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.1720	0.000	1	107.5840	0.339	2	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,3|C<3>,3|H<1>}	107.8850	0.000	1	107.8850	0.000	1	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	108.0980	0.000	1	108.0980	0.000	1	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.3380	0.000	1	108.1084	0.215	5	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.4430	0.014	2	108.1084	0.215	5	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	107.3580	0.000	1	108.1084	0.215	5	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.9600	0.000	1	108.1084	0.215	5	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.3120	0.000	1	107.1990	0.036	4	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.1900	0.000	1	107.1990	0.036	4	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.9350	0.000	1	107.1990	0.036	4	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.3590	0.000	1	107.1990	0.036	4	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	106.9140	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.3320	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	106.6310	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.7940	0.000	2	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	107.1390	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	107.9430	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	106.3890	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|N<3>,3|C<3>,3|H<1>}	107.6470	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	107.6040	0.000	1	107.3187	0.285	10	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	107.4635	0.226	2	107.4635	0.051	2	107.5441	0.289	25	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	109.5680	0.000	1	109.5680	0.000	1	109.4597	0.123	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3){1|H<1>,1|O<1>,5|C<3>}	109.4055	0.477	2	109.4055	0.228	2	109.4597	0.123	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	108.1175	0.081	2	108.1175	0.007	2	108.3510	0.167	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.8180	0.000	1	108.8180	0.000	1	108.3510	0.167	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){1|Si<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[5,6a]C[5,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[5,6a]C[5,6a]2){1|Se<2>,1|Si<4>,1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	109.9805	0.059	2	109.9805	0.003	2	109.9805	0.003	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a]){1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.7530	0.000	1	108.7530	0.000	1	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.9728	0.485	4	108.9728	0.235	4	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Cl<1>,1|H<1>,4|C<3>}	109.0030	0.000	1	108.9880	0.000	2	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.9730	0.000	1	108.9880	0.000	2	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.4950	0.000	1	108.4950	0.000	1	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.4750	0.417	4	109.4750	0.174	4	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	108.4645	0.392	2	108.4645	0.154	2	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|Si<4>,1|C<4>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	109.3790	0.157	2	109.3790	0.025	2	109.0439	0.231	16	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[6a]N[5a]){1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.5870	0.000	1	109.5870	0.000	1	110.2084	0.225	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<2>,2|H<1>,3|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	110.5130	0.000	1	110.4172	0.027	8	110.2084	0.225	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6]){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	110.4036	0.174	7	110.4172	0.027	8	110.2084	0.225	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6]){3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.1590	0.000	1	109.1590	0.000	1	110.2084	0.225	10	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	110.0680	0.000	1	110.0680	0.000	1	110.1607	0.284	7	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.7005	0.248	2	109.7005	0.062	2	110.1607	0.284	7	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.9140	0.000	1	110.5237	0.404	3	110.1607	0.284	7	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	110.8285	0.500	2	110.5237	0.404	3	110.1607	0.284	7	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	110.0850	0.000	1	110.0850	0.000	1	110.1607	0.284	7	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6]){2|H<1>,4|C<3>}	110.1050	0.187	2	110.1050	0.035	2	110.1050	0.035	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.4380	0.000	1	108.4380	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.7075	0.325	4	108.6934	0.080	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.6370	0.000	1	108.6934	0.080	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){6|C<3>}	109.3185	0.353	2	109.3185	0.125	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	106.9920	0.000	1	108.3040	3.158	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.6320	1.869	4	108.3040	3.158	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.0540	0.000	1	108.0540	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|B<3>,1|H<1>,4|C<3>}	107.4930	0.000	1	107.4930	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Br<1>,1|H<1>,4|C<3>}	108.0510	0.000	1	107.5900	1.453	3	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Br<1>,4|C<3>}	107.3595	1.609	2	107.5900	1.453	3	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	107.9770	0.000	1	107.9770	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.5300	0.197	3	108.3838	0.069	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.3040	0.000	1	108.3838	0.069	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.0250	0.000	1	108.3838	0.069	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	108.4145	0.634	2	108.4145	0.402	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	109.0690	0.000	1	109.0690	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,4|C<3>}	109.3193	0.441	3	109.1680	0.166	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	108.7140	0.000	1	109.1680	0.166	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.1680	0.000	1	109.1680	0.166	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.8370	0.581	2	108.8370	0.338	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.4530	0.000	1	108.4530	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<2>,1|H<1>,4|C<3>}	108.7220	0.000	1	108.7220	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.5680	0.000	1	109.5680	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Cl<1>,1|H<1>,4|C<3>}	109.0880	0.000	1	109.0880	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	109.2650	0.496	2	109.2650	0.246	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	109.5380	0.000	1	109.4885	0.005	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	109.4390	0.000	1	109.4885	0.005	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	108.3965	0.114	2	108.3965	0.013	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	109.9355	0.863	2	109.8990	0.377	3	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.8260	0.000	1	109.8990	0.377	3	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.6746	0.363	8	109.6746	0.132	8	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.3250	0.000	1	109.3250	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.2790	0.543	2	109.2790	0.295	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	108.8920	0.000	1	108.8920	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.4440	0.000	1	109.0655	0.480	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.9393	0.790	3	109.0655	0.480	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	109.2750	0.000	1	109.1780	0.010	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	109.0900	0.000	2	109.1780	0.010	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.2570	0.000	1	109.1780	0.010	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.9480	0.129	2	108.9480	0.017	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	109.3752	0.223	4	109.3752	0.050	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.2250	0.305	3	109.2728	0.076	9	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.1505	0.142	4	109.2728	0.076	9	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.3710	0.000	1	109.2728	0.076	9	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.8070	0.000	1	109.2728	0.076	9	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.4010	0.000	1	109.4010	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.7680	0.000	1	109.5818	0.020	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.4550	0.000	1	109.5818	0.020	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.5945	0.168	2	109.5818	0.020	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.5395	0.127	2	109.5818	0.020	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	109.6160	0.000	1	109.6160	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	110.4740	0.000	1	110.4740	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.0840	0.129	2	109.0840	0.017	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	108.4160	0.000	1	108.4160	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.4070	0.245	2	109.4138	0.079	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.6240	0.055	2	109.4138	0.079	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.0070	0.000	1	109.4138	0.079	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	109.2190	0.000	1	109.4405	0.026	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	109.5143	0.078	3	109.4405	0.026	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	108.7360	0.000	1	108.7360	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	109.4090	0.000	1	109.2205	0.071	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	109.0320	0.000	1	109.2205	0.071	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	109.8070	0.000	1	109.6010	0.085	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	109.3950	0.000	1	109.6010	0.085	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	109.6890	0.000	1	109.6890	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	109.4910	0.072	4	109.3027	0.123	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,5|C<3>}	108.9260	0.417	2	109.3027	0.123	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH){2|H<1>,4|C<3>}	109.1732	0.328	5	109.1480	0.074	7	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH){2|H<1>,4|C<3>}	109.0850	0.018	2	109.1480	0.074	7	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.1460	0.089	3	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.9443	0.280	3	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.2820	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.3535	0.030	2	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.0980	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.6640	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.5120	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.0694	0.503	5	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.7290	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.8350	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Br<1>,1|H<1>,4|C<3>}	110.5630	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.0790	0.383	18	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.5055	0.052	2	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.1501	0.360	16	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.3990	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.3590	0.315	6	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.2102	0.315	9	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.3460	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	110.4310	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.2439	0.373	80	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.0614	0.417	193	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.1037	0.117	3	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.9360	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.6120	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.5930	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,4|C<3>}	109.4633	0.147	3	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.9100	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	109.5880	0.000	1	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.0699	0.537	18	109.1410	0.178	376	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	108.9630	0.000	1	109.0085	0.004	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	109.0540	0.000	1	109.0085	0.004	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H){2|H<1>,4|C<3>}	109.0215	0.363	2	109.0215	0.132	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	109.0609	0.463	23	109.0356	0.143	77	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	109.6580	0.000	1	109.0356	0.143	77	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	109.0706	0.082	8	109.0356	0.143	77	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	108.9633	0.304	43	109.0356	0.143	77	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	109.8480	0.532	2	109.0356	0.143	77	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.7020	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	109.1570	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.4998	1.194	5	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.2030	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.0270	0.335	2	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.8545	0.132	2	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	109.6820	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.4770	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.6590	0.305	2	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.6520	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<2>,1|H<1>,4|C<3>}	109.6930	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	109.8110	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	109.6910	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.1490	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	109.5020	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	109.7250	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	109.9405	0.211	6	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.7808	1.043	5	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|B<3>,1|H<1>,4|C<3>}	108.9980	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.0450	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	109.3407	0.114	3	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	108.5842	0.639	6	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	110.1010	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.3479	0.447	25	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.6220	0.355	4	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.1740	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	109.9440	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.1471	0.107	7	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	109.0950	0.159	3	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	109.8150	0.000	1	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.3906	0.332	8	109.2375	0.371	96	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	108.6868	0.307	6	108.6868	0.094	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN){2|H<1>,4|C<3>}	109.4257	1.083	4	109.3825	0.868	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN){2|H<1>,4|C<3>}	109.2960	0.894	2	109.3825	0.868	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH){2|H<1>,4|C<3>}	108.8407	0.141	4	108.8407	0.020	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	109.2840	0.000	1	109.2840	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	108.3910	0.000	1	108.3910	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	110.6080	0.000	1	110.6080	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	109.7010	0.000	1	109.7010	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	109.9670	0.000	1	109.9670	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	109.9054	0.177	7	109.9054	0.031	7	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,1|N<2>,4|C<3>}	110.7065	0.187	2	110.7065	0.035	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<2>,4|C<3>}	109.9260	0.000	1	109.9260	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	110.3850	0.000	1	110.3850	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.5020	0.201	2	109.3155	0.322	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.2223	0.699	4	109.3155	0.322	6	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	110.2470	0.279	2	110.2470	0.078	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.8230	0.202	4	109.8230	0.041	4	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	109.4210	0.000	1	109.6160	0.076	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	109.8110	0.000	1	109.6160	0.076	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	109.7035	0.258	2	109.7035	0.067	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	109.9455	0.549	2	109.7806	0.124	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	109.5545	0.153	2	109.7806	0.124	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	109.9030	0.000	1	109.7806	0.124	5	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	109.3940	0.000	1	109.3940	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.2950	0.000	1	109.2950	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	110.0400	0.000	1	109.1607	0.440	10	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	109.2160	0.522	4	109.1607	0.440	10	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	108.9406	0.728	5	109.1607	0.440	10	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.4310	0.000	1	109.4310	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	110.1310	0.000	1	110.1310	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	109.2510	0.000	1	109.2510	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	108.0810	0.000	1	108.0810	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si){1|Si<4>,1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	108.9910	0.000	1	108.9910	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.0010	0.000	1	110.0010	0.000	1	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.2390	0.051	2	110.2390	0.003	2	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	110.2020	0.471	3	110.2020	0.222	3	109.1727	0.290	751	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<12>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr){2|C<4>,4|C<3>,4|H<1>}	108.8615	0.446	2	108.7188	0.069	6	108.9149	0.186	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<9>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr){2|C<4>,4|C<3>,4|H<1>}	108.6475	0.169	4	108.7188	0.069	6	108.9149	0.186	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H){2|H<1>,4|C<4>,5|C<3>}	109.5030	0.191	2	109.5030	0.036	2	108.9149	0.186	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.9065	0.005	2	108.9065	0.000	2	108.9875	0.109	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.7350	0.000	1	109.2620	0.555	2	108.9875	0.109	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	109.7890	0.000	1	109.2620	0.555	2	108.9875	0.109	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H){4|H<1>,7|C<3>}	108.9235	0.025	2	108.9235	0.001	2	108.9875	0.109	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.8580	0.001	2	108.8580	0.000	2	108.9875	0.109	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2O){2|H<1>,4|C<3>}	109.6520	0.276	2	109.6520	0.076	2	108.8716	0.189	27	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2S){2|H<1>,4|C<3>}	108.9175	0.624	2	108.9175	0.390	2	108.8716	0.189	27	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2Se)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2Se){2|H<1>,4|C<3>}	108.6180	0.793	2	108.6180	0.629	2	108.8716	0.189	27	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O){2|H<1>,4|C<3>}	108.9189	0.329	7	108.9189	0.108	7	108.8716	0.189	27	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S){2|H<1>,4|C<3>}	108.8028	0.374	4	108.8028	0.140	4	108.8716	0.189	27	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se){2|H<1>,4|C<3>}	108.6325	0.423	4	108.6325	0.179	4	108.8716	0.189	27	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O){2|H<1>,4|C<3>}	108.8308	0.344	6	108.8308	0.118	6	108.8716	0.189	27	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.7040	0.000	1	108.7040	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	109.5520	0.000	1	109.5520	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	110.4820	0.000	1	110.4820	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	107.5120	0.000	1	107.5120	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.1830	0.000	1	108.1830	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	108.1000	0.000	1	108.1000	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.6680	0.000	1	108.9203	0.073	3	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.8890	0.000	1	108.9203	0.073	3	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	109.2040	0.000	1	108.9203	0.073	3	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.1180	0.000	1	109.3730	0.130	2	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.6280	0.000	1	109.3730	0.130	2	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,4|C<3>}	108.3515	1.367	2	108.4743	0.979	3	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,4|C<3>}	108.7200	0.000	1	108.4743	0.979	3	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	108.3420	0.000	1	108.3420	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	107.7925	0.296	2	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	107.8600	0.141	2	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.7477	0.353	3	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	107.7790	0.000	1	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	109.2660	0.000	1	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.4873	0.432	6	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.5957	0.517	3	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.4309	0.305	15	108.4172	0.191	33	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.3390	0.000	1	108.3390	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SCOO){1|H<1>,4|C<3>}	107.9520	0.000	1	107.9520	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	107.6130	0.000	1	108.0522	0.156	5	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.1620	0.357	4	108.0522	0.156	5	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.4880	0.000	1	108.4880	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	108.8190	0.000	1	108.8190	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	109.4380	0.000	1	109.4380	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	107.9040	0.000	1	107.9040	0.000	1	108.4877	0.349	59	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	110.0390	0.281	2	109.9770	0.085	6	110.0473	0.118	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	109.9460	0.334	4	109.9770	0.085	6	110.0473	0.118	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]3){2|H<1>,4|C<3>}	110.2580	0.529	2	110.2580	0.280	2	110.0473	0.118	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H){1|S<4>,4|H<1>,6|C<3>}	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>}	107.8700	0.000	1	107.8700	0.000	1	107.5376	0.645	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	107.9040	0.205	2	107.9040	0.042	2	107.5376	0.645	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	107.8970	0.000	1	107.8970	0.000	1	107.5376	0.645	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(C[6]C[6]2Cr)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(C[6]C[6]2Cr){2|C<3>,3|C<4>,3|H<1>}	106.1130	0.000	1	106.1130	0.000	1	107.5376	0.645	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	108.7560	0.000	1	108.7560	0.000	1	108.5594	0.080	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	109.1400	0.000	1	109.1400	0.000	1	108.5594	0.080	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	108.2955	0.073	2	108.2955	0.005	2	108.5594	0.080	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC){2|H<1>,4|C<3>}	108.4970	0.088	4	108.4970	0.008	4	108.5594	0.080	8	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	108.3580	0.000	2	108.3580	0.000	2	109.0353	1.054	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	108.2170	0.000	1	108.2170	0.000	1	109.0353	1.054	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	108.6070	0.000	1	108.6070	0.000	1	109.0353	1.054	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	110.5750	0.000	1	110.3360	0.114	2	109.0353	1.054	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	110.0970	0.000	1	110.3360	0.114	2	109.0353	1.054	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	109.7490	0.000	1	109.7490	0.000	1	109.4760	0.149	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a]){1|S<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	109.2030	0.000	1	109.2030	0.000	1	109.4760	0.149	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H){2|C<3>,6|H<1>}	106.5340	0.000	1	106.5340	0.000	1	106.5340	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	106.5497	0.150	3	106.6250	0.038	4	106.6250	0.038	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	106.8510	0.000	1	106.6250	0.038	4	106.6250	0.038	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:Ge[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	113.5695	0.219	4	113.5695	0.048	4	113.5695	0.048	4	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	112.2360	0.000	1	112.2360	0.000	1	112.1396	0.031	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	112.0810	0.037	2	112.0810	0.001	2	112.1396	0.031	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	112.1430	0.216	6	112.1430	0.047	6	112.1396	0.031	9	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<5>,3|H<1>}	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|B<6>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<5>,1|H<1>,2|C<3>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	109.0660	0.204	2	109.0660	0.041	2	108.8694	0.192	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	108.1510	0.000	1	108.1510	0.000	1	108.8694	0.192	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	109.2320	0.000	1	109.2320	0.000	1	108.8694	0.192	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	108.8320	0.000	1	108.8320	0.000	1	108.8694	0.192	5	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,5|C<3>}	110.5095	0.490	2	110.5095	0.240	2	110.5095	0.240	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	109.7820	0.000	1	109.7820	0.000	1	109.3523	0.146	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.1375	0.127	2	109.1375	0.016	2	109.3523	0.146	3	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<2>,1|C<4>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.8960	0.375	2	108.9167	0.106	12	108.9826	0.119	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.1085	0.129	4	108.9167	0.106	12	108.9826	0.119	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.9180	0.000	1	108.9167	0.106	12	108.9826	0.119	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.3110	0.000	1	108.9167	0.106	12	108.9826	0.119	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|S<2>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.6362	0.346	4	108.9167	0.106	12	108.9826	0.119	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|C<4>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	109.3780	0.112	2	109.3780	0.012	2	108.9826	0.119	14	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	107.6200	0.000	1	107.6200	0.000	1	107.2743	0.571	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	106.5250	0.000	2	106.6730	0.066	3	107.2743	0.571	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){4|C<3>}	106.9690	0.000	1	106.6730	0.066	3	107.2743	0.571	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	107.5260	0.000	1	107.5260	0.000	1	107.2743	0.571	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	108.4810	0.000	1	108.4810	0.000	1	107.2743	0.571	6	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3]){1|C<2>,2|H<1>,3|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H){4|C<3>,4|H<1>}	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,3|C<3>}	106.3300	0.416	2	106.3300	0.173	2	106.3300	0.173	2	108.4758	0.959	2315	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.1710	0.000	1	106.2130	0.004	2	106.2130	0.004	2	106.2130	0.004	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	106.2550	0.000	1	106.2130	0.004	2	106.2130	0.004	2	106.2130	0.004	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	107.5010	0.000	1	107.5010	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,2|H<1>,7|C<3>}	105.8330	0.000	1	105.8330	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Zr<12>,1|C<3>,2|H<1>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	107.2580	0.000	1	107.2580	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C){3|C<3>,3|C<4>,3|H<1>}	106.6160	0.000	1	106.6160	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	107.9530	0.000	1	107.9530	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	107.9830	0.000	1	107.9830	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|S<4>,4|C<3>,4|H<1>}	107.5700	0.000	1	107.5700	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	107.6490	0.000	1	107.6490	0.000	1	107.2954	0.536	8	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	107.8390	0.000	1	107.2650	0.292	3	107.4248	0.297	4	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,6|C<3>}	106.9780	0.300	2	107.2650	0.292	3	107.4248	0.297	4	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H){1|Mo<10>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	107.9040	0.000	1	107.9040	0.000	1	107.4248	0.297	4	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.0280	0.000	1	106.0280	0.000	1	106.0280	0.000	1	107.2377	0.522	13	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-4:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.1270	0.495	2	108.1270	0.245	2	108.1183	0.123	3	108.1183	0.123	3	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-4:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){2|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){2|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.1010	0.000	1	108.1010	0.000	1	108.1183	0.123	3	108.1183	0.123	3	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:5:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-5:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.0990	0.106	2	108.0990	0.011	2	108.0990	0.011	2	108.0990	0.011	2	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd){2|C<3>,3|C<4>,4|H<1>}	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	6:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])2{1|C<6>,4|B<6>,4|C<3>,7|H<1>}	109.4843	0.856	4	109.4843	0.732	4	109.4843	0.732	4	109.0477	0.926	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	6:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<6>,1|C<3>,3|H<1>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<6>,2|C<3>,4|B<6>,7|H<1>}	108.1745	0.383	2	108.1745	0.146	2	108.1745	0.146	2	109.0477	0.926	6	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|Li<4>,1|B<3>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|Li<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	107.5949	2.513	9077	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,5a,6a]C[6a])(N[5a]C[5a,5a])(H)	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,5a,6a]C[6a])(N[5a]C[5a,5a])(H){1|H<1>,3|C<3>}	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|C<3>,3|H<1>}	101.8390	0.000	1	101.8390	0.000	1	101.8390	0.000	1	101.8390	0.000	1	101.8390	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,3|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	103.4550	0.000	1	103.4550	0.000	1	103.4550	0.000	1	103.4776	0.049	5	104.9069	2.231	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|B<3>,3|C<3>}	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	103.4832	0.255	4	103.4832	0.065	4	103.4832	0.065	4	103.4776	0.049	5	104.9069	2.231	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	106.0980	0.677	6	104.9069	2.231	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	105.1160	0.000	1	105.1160	0.000	1	105.1160	0.000	1	106.0980	0.677	6	104.9069	2.231	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	105.1990	0.000	1	105.1990	0.000	1	106.3443	0.726	4	106.0980	0.677	6	104.9069	2.231	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	106.3950	0.000	1	106.7260	0.215	3	106.3443	0.726	4	106.0980	0.677	6	104.9069	2.231	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[5a](C[5a,6a]N[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	106.8915	0.515	2	106.7260	0.215	3	106.3443	0.726	4	106.0980	0.677	6	104.9069	2.231	11	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(N[6a]C[6a]C){6|C<3>}	C[5a](C[5a,6a]N[5a,6a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	105.9270	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:2:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	105.6200	0.132	3	105.6200	0.017	3	105.6200	0.017	3	105.6200	0.017	3	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(C[5a]C[5a]H){1|O<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	105.7980	0.000	1	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:2:3:	3:3:2:	3:3:2:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|S<2>,1|S<4>}	105.5020	0.000	1	105.5020	0.000	1	105.5020	0.000	1	105.5020	0.000	1	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	103.3690	0.000	1	103.0050	0.265	2	103.0050	0.265	2	103.0050	0.265	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	102.6410	0.000	1	103.0050	0.265	2	103.0050	0.265	2	103.0050	0.265	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	104.8250	0.000	1	104.8250	0.000	1	104.8250	0.000	1	104.8250	0.000	1	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CNO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CNO){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	105.6247	0.398	10	105.6247	0.158	10	105.6389	0.135	12	105.6389	0.135	12	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(COO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(COO){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	105.7100	0.226	2	105.7100	0.051	2	105.6389	0.135	12	105.6389	0.135	12	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	104.7520	0.000	1	104.7500	0.000	2	104.7500	0.000	2	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,3|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(Br){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	104.7480	0.000	1	104.7500	0.000	2	104.7500	0.000	2	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	105.0740	0.000	1	105.2292	0.078	4	105.2032	0.062	5	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	105.2810	0.317	3	105.2292	0.078	4	105.2032	0.062	5	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	105.0990	0.000	1	105.0990	0.000	1	105.2032	0.062	5	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	105.9300	0.039	4	105.9300	0.002	4	105.8217	0.080	12	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	105.5760	0.000	1	105.5407	0.008	3	105.8217	0.080	12	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	105.5230	0.117	2	105.5407	0.008	3	105.8217	0.080	12	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	106.1520	0.108	3	106.1520	0.012	3	105.8217	0.080	12	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	105.3670	0.000	1	105.5310	0.054	2	105.8217	0.080	12	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	105.6950	0.000	1	105.5310	0.054	2	105.8217	0.080	12	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	106.1400	0.000	1	106.1400	0.000	1	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.5060	0.000	1	105.6717	0.027	3	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	105.6760	0.000	1	105.6717	0.027	3	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	105.8330	0.000	1	105.6717	0.027	3	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|C<3>,2|H<1>}	105.0400	0.000	1	105.0400	0.000	1	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.8065	0.001	2	105.8065	0.000	2	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	105.2975	0.199	2	105.2975	0.039	2	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	106.1750	0.047	2	106.1750	0.002	2	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.6535	0.251	2	105.3270	0.121	5	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.1093	0.180	3	105.3270	0.121	5	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	105.5130	0.000	1	105.3160	0.806	9	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	105.1815	0.247	2	105.3160	0.806	9	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	105.0627	0.131	4	105.3160	0.806	9	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	105.8585	2.327	2	105.3160	0.806	9	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	105.6490	0.000	1	105.6490	0.000	1	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	105.1628	0.181	4	105.1628	0.033	4	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	105.9870	0.143	2	105.9870	0.020	2	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	105.9540	0.000	1	105.9540	0.000	1	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	104.9320	0.000	1	104.9320	0.000	1	105.4821	0.332	34	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(I)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(I){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	104.8460	0.225	2	104.8460	0.051	2	104.8460	0.051	2	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	108.1870	0.000	1	108.1870	0.000	1	108.4402	0.226	4	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,2|H<1>}	108.5680	0.000	1	108.5680	0.000	1	108.4402	0.226	4	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]O[6a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	108.5030	0.768	2	108.5030	0.590	2	108.4402	0.226	4	105.6817	0.847	59	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	108.4300	0.369	3	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(N[6a]N[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2){1|N<2>,3|H<1>,4|C<3>}	108.1155	0.381	2	108.1155	0.145	2	108.1155	0.145	2	108.4300	0.369	3	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<2>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,3|C<2>}	104.6620	0.000	1	104.6620	0.000	1	105.0280	0.121	8	105.0280	0.121	8	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	105.2730	0.000	1	105.2730	0.000	1	105.0280	0.121	8	105.0280	0.121	8	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	105.0690	0.000	1	105.0690	0.000	1	105.0280	0.121	8	105.0280	0.121	8	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	104.5000	0.000	1	104.5000	0.000	1	105.0280	0.121	8	105.0280	0.121	8	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	104.9420	0.059	2	104.9420	0.004	2	105.0280	0.121	8	105.0280	0.121	8	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	105.5810	0.000	1	105.4180	0.053	2	105.0280	0.121	8	105.0280	0.121	8	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	105.2550	0.000	1	105.4180	0.053	2	105.0280	0.121	8	105.0280	0.121	8	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CHO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CHO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	105.8780	0.000	1	105.8780	0.000	1	105.8780	0.000	1	105.0568	0.698	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.4560	0.000	1	105.4560	0.000	1	105.7495	0.172	2	105.0568	0.698	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){2|C<4>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	106.0430	0.000	1	106.0430	0.000	1	105.7495	0.172	2	105.0568	0.698	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N[5a])(NOO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|N<3>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]N[5a])(NOO){2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	104.2195	0.013	2	104.2195	0.000	2	104.3213	0.031	3	105.0568	0.698	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(NOO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(NOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|N<2>,3|N<3>}	104.5250	0.000	1	104.5250	0.000	1	104.3213	0.031	3	105.0568	0.698	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(N[6a]C[6a]){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){2|H<1>,6|C<3>}	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a])	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(SC[6a]OO)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(SC[6a]OO){2|C<3>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	104.7975	0.271	2	104.7975	0.073	2	104.7975	0.073	2	104.7975	0.073	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	102.9250	0.000	1	102.9080	0.001	2	103.1990	0.254	3	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	102.8910	0.000	1	102.9080	0.001	2	103.1990	0.254	3	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	103.7810	0.000	1	103.7810	0.000	1	103.1990	0.254	3	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	103.4480	0.175	2	103.4480	0.031	2	103.1384	0.109	5	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<3>,3|H<1>}	102.9740	0.000	1	102.9740	0.000	1	103.1384	0.109	5	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	102.9110	0.286	2	102.9110	0.082	2	103.1384	0.109	5	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>,3|H<1>}	103.4206	0.204	7	103.4206	0.041	7	103.4206	0.041	7	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N){2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	103.4935	0.811	16	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:Br-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Br)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Br){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,2|H<1>,5|C<3>}	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	103.9445	1.005	2	103.9445	1.010	2	103.9445	1.010	2	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	104.7940	0.000	1	104.4640	0.218	2	104.9023	0.685	3	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	104.1340	0.000	1	104.4640	0.218	2	104.9023	0.685	3	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	105.7790	0.000	1	105.7790	0.000	1	104.9023	0.685	3	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(I){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|H<1>}	104.1580	0.000	1	104.1580	0.000	1	104.1580	0.000	1	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]H)(N[6a]C[6a]2){1|O<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(H){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	106.9860	0.000	1	106.9860	0.000	1	106.9860	0.000	1	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	105.1090	0.000	1	105.1090	0.000	1	105.1090	0.000	1	104.9223	1.182	9	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(CC)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(CC){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	103.9060	0.000	1	103.9060	0.000	1	103.9060	0.000	1	103.5210	0.296	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CN){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<2>,1|C<3>,2|H<1>}	103.1360	0.000	1	103.1360	0.000	1	103.1360	0.000	1	103.5210	0.296	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	105.6330	0.000	1	105.6330	0.000	1	105.3730	0.135	2	105.3545	0.053	4	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	105.1130	0.000	1	105.1130	0.000	1	105.3730	0.135	2	105.3545	0.053	4	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a]){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	105.3360	0.151	2	105.3360	0.023	2	105.3360	0.023	2	105.3545	0.053	4	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H){4|C<3>}	103.9090	0.000	1	103.9090	0.000	1	103.9090	0.000	1	104.7605	0.465	4	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	105.4850	0.000	1	105.4850	0.000	1	105.0443	0.215	3	104.7605	0.465	4	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.8240	0.372	2	104.8240	0.138	2	105.0443	0.215	3	104.7605	0.465	4	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	104.2000	0.000	1	104.2000	0.000	1	104.2000	0.000	1	103.7113	0.198	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	103.8780	0.000	1	103.8780	0.000	1	103.3857	0.232	3	103.7113	0.198	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|C<3>,3|C<4>}	103.1395	0.317	2	103.1395	0.101	2	103.3857	0.232	3	103.7113	0.198	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	103.9160	0.000	1	103.9160	0.000	1	103.8740	0.043	3	103.7113	0.198	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	103.8530	0.288	2	103.8530	0.083	2	103.8740	0.043	3	103.7113	0.198	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.2830	0.000	1	105.2830	0.000	1	105.5700	0.165	2	105.5700	0.165	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.8570	0.000	1	105.8570	0.000	1	105.5700	0.165	2	105.5700	0.165	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:2:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F)	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|F<1>,2|C<3>,2|H<1>}	103.2680	0.000	1	103.2680	0.000	1	103.2680	0.000	1	103.2680	0.000	1	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]C)(H){1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	106.9885	0.121	2	106.9885	0.015	2	106.9885	0.015	2	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]O[5a]O)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]O[5a]O)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	105.7700	0.000	1	105.7700	0.000	1	105.7267	0.124	7	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.5880	0.000	1	105.5880	0.000	1	105.7267	0.124	7	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	105.7180	0.000	1	105.7627	0.238	4	105.7267	0.124	7	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	105.7777	0.597	3	105.7627	0.238	4	105.7267	0.124	7	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	105.6780	0.000	1	105.6780	0.000	1	105.7267	0.124	7	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(F){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	103.7410	0.000	1	103.7410	0.000	1	103.7410	0.000	1	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	107.0330	0.000	1	107.0330	0.000	1	107.1802	0.017	5	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	107.0650	0.000	1	107.0650	0.000	1	107.1802	0.017	5	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	107.2677	0.072	3	107.2677	0.005	3	107.1802	0.017	5	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	105.9990	0.000	1	105.9990	0.000	1	105.3050	0.265	6	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	104.5670	0.000	1	104.8987	0.096	3	105.3050	0.265	6	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	105.0645	0.165	2	104.8987	0.096	3	105.3050	0.265	6	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.4760	0.000	1	105.5675	0.017	2	105.3050	0.265	6	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.6590	0.000	1	105.5675	0.017	2	105.3050	0.265	6	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	106.6410	0.000	1	106.6410	0.000	1	106.3645	0.153	2	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	106.0880	0.000	1	106.0880	0.000	1	106.3645	0.153	2	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(Br)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(Br){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	106.3620	0.000	1	106.3620	0.000	1	106.3620	0.000	1	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	107.3530	0.000	1	107.3530	0.000	1	107.4440	0.020	4	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	107.3130	0.000	1	107.3130	0.000	1	107.4440	0.020	4	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	107.5550	0.103	2	107.5550	0.011	2	107.4440	0.020	4	106.3478	1.182	30	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	109.1450	0.000	1	109.1450	0.000	1	109.1163	0.102	3	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	108.7840	0.000	1	108.7840	0.000	1	109.1163	0.102	3	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	109.4200	0.000	1	109.4200	0.000	1	109.1163	0.102	3	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	107.8750	0.000	1	107.8750	0.000	1	107.5340	0.132	3	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.5760	0.000	1	107.5760	0.000	1	107.5340	0.132	3	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	107.1510	0.000	1	107.1510	0.000	1	107.5340	0.132	3	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O){1|N<2>,2|H<1>,4|C<3>}	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Re)(C[5a]C[5a]C)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Re)(C[5a]C[5a]C){2|H<1>,3|C<3>}	107.7700	0.000	1	107.7700	0.000	1	106.9235	1.433	2	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	106.0770	0.000	1	106.0770	0.000	1	106.9235	1.433	2	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(Cl){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	106.8030	0.000	1	106.8030	0.000	1	106.8030	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	108.3055	0.931	2	108.3055	0.867	2	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.8140	0.000	1	108.8140	0.000	1	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	107.8420	0.000	1	107.8420	0.000	1	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	108.6510	0.000	1	108.6510	0.000	1	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	109.2750	0.000	1	109.2750	0.000	1	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	108.7682	0.109	4	108.7682	0.012	4	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	108.5930	0.000	1	108.5153	0.008	4	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	108.5285	0.086	2	108.5153	0.008	4	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	108.4110	0.000	1	108.5153	0.008	4	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	109.7760	0.000	1	109.7760	0.000	1	108.6735	0.259	15	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	109.7200	0.000	1	109.7200	0.000	1	109.7099	0.846	7	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	108.8560	0.369	2	108.8560	0.136	2	109.7099	0.846	7	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	111.3050	0.000	1	111.3050	0.000	1	109.7099	0.846	7	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	109.5140	0.000	1	109.5140	0.000	1	109.7099	0.846	7	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	109.2060	0.000	1	109.2060	0.000	1	109.7099	0.846	7	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.5120	0.000	1	110.5120	0.000	1	109.7099	0.846	7	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|Br<1>,1|C<3>,2|H<1>}	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(Br){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,3|C<3>,3|H<1>}	106.9010	0.000	1	106.9010	0.000	1	106.9010	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(F)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(F){1|C<2>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	105.6940	0.140	2	105.6940	0.020	2	105.6940	0.020	2	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	106.6230	0.000	1	106.6230	0.000	1	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.5880	0.000	1	106.8274	0.372	5	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.3980	0.270	2	106.8274	0.372	5	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.3765	0.547	2	106.8274	0.372	5	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	107.5140	0.000	1	107.1750	0.230	2	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){2|C<3>,2|H<1>,2|N<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	106.8360	0.000	1	107.1750	0.230	2	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	107.3070	0.000	1	107.3070	0.000	1	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	107.0670	0.000	1	107.0670	0.000	1	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.0600	0.467	4	107.0600	0.218	4	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.1430	0.000	1	107.1430	0.000	1	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,3|H<1>}	108.2625	0.094	2	108.2625	0.009	2	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|S<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,3|H<1>}	107.3240	0.000	1	107.3240	0.000	1	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	106.6910	0.000	1	106.6910	0.000	1	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]P)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	106.7570	0.192	2	106.7570	0.037	2	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.4150	0.000	1	107.4150	0.000	1	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	108.0050	0.000	1	107.9225	0.014	2	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.8400	0.000	1	107.9225	0.014	2	107.1742	0.329	24	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	107.4190	0.000	1	107.1640	0.035	4	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	107.0790	0.099	3	107.1640	0.035	4	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	107.8450	0.355	2	107.8450	0.126	2	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	107.8570	0.000	1	107.8570	0.000	1	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	108.4280	1.014	2	108.4280	1.028	2	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	107.4450	0.000	1	107.4450	0.000	1	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	107.6290	0.378	2	107.6290	0.143	2	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	108.6385	0.008	2	108.6385	0.000	2	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.9900	0.000	1	108.3560	0.425	3	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.1090	0.000	1	108.3560	0.425	3	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.9690	0.000	1	108.3560	0.425	3	107.8886	0.441	17	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|H<1>,1|I<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	106.5530	0.000	1	106.5530	0.000	1	107.4395	1.572	2	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	108.3260	0.000	1	108.3260	0.000	1	107.4395	1.572	2	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|C<3>,1|N<2>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|I<1>,1|N<2>,2|C<3>,3|H<1>}	107.0460	0.000	1	107.0460	0.000	1	107.0460	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(N[6a]C[6a]C){1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(H){6|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]N[6a])(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	110.0370	0.179	4	110.0370	0.032	4	110.0370	0.032	4	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	107.6395	0.245	2	107.6395	0.060	2	107.6395	0.060	2	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	105.9690	0.397	2	105.9690	0.158	2	105.9690	0.158	2	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	106.5740	0.000	1	106.5740	0.000	1	108.4302	1.159	5	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	108.8942	0.332	4	108.8942	0.110	4	108.4302	1.159	5	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	107.9220	0.000	1	107.9220	0.000	1	107.1639	0.159	10	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	107.1130	0.311	2	107.0320	0.115	7	107.1639	0.159	10	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	106.9996	0.378	5	107.0320	0.115	7	107.1639	0.159	10	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	107.3780	0.000	1	107.3780	0.000	1	107.1639	0.159	10	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	107.1150	0.000	1	107.1150	0.000	1	107.1639	0.159	10	107.9098	1.380	107	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	105.3200	0.161	2	105.3200	0.026	2	105.3200	0.026	2	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	103.4560	0.000	1	103.4560	0.000	1	103.7520	0.175	2	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	104.0480	0.000	1	104.0480	0.000	1	103.7520	0.175	2	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	103.2940	0.000	1	103.2940	0.000	1	103.2940	0.000	1	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	104.1700	0.000	1	104.1700	0.000	1	104.1700	0.000	1	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	103.7070	0.000	2	103.7070	0.000	2	103.7070	0.000	2	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]S)(SC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]S)(SC){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	104.5260	0.000	1	104.5260	0.000	1	104.5260	0.000	1	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	104.3006	1.493	5	104.3006	2.228	5	104.3006	2.228	5	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){2|C<3>,2|H<1>}	103.7550	0.000	1	103.7550	0.000	1	103.3782	0.174	4	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	103.2527	0.407	3	103.2527	0.166	3	103.3782	0.174	4	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	103.4685	0.308	2	103.4685	0.095	2	103.4685	0.095	2	103.9751	0.888	20	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	106.6460	0.000	1	106.7605	0.026	2	106.7605	0.026	2	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	106.8750	0.000	1	106.7605	0.026	2	106.7605	0.026	2	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC){6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	106.4643	0.084	3	106.5574	0.198	5	106.5574	0.198	5	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	106.1000	0.000	1	106.5574	0.198	5	106.5574	0.198	5	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	107.2940	0.000	1	106.5574	0.198	5	106.5574	0.198	5	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	107.5020	0.000	1	107.5020	0.000	1	107.6300	0.033	2	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|C<3>,1|N<2>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	107.7580	0.000	1	107.7580	0.000	1	107.6300	0.033	2	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(OC)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	107.6610	0.025	2	107.6610	0.001	2	107.6610	0.001	2	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(SC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(SC){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	107.0800	0.000	1	107.0800	0.000	1	107.0800	0.000	1	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)(SS)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H){1|O<2>,1|S<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)(SS){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.9350	0.000	1	104.9350	0.000	1	104.9350	0.000	1	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OP)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OP){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN){1|Br<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|H<1>}	106.8477	0.231	3	106.8477	0.053	3	106.8477	0.053	3	107.0417	0.738	21	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,2|F<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN){2|F<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	110.8263	0.288	3	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN){1|H<1>,2|C<3>,2|F<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	111.1060	0.325	2	111.1060	0.106	2	111.1060	0.106	2	110.8263	0.288	3	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]N)(NOO)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N){1|C<3>,2|N<2>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]N[5a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,3|N<3>}	103.8240	0.262	2	103.8240	0.068	2	103.8240	0.068	2	103.8240	0.068	2	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	108.9560	0.000	1	108.9560	0.000	1	108.9560	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	105.7490	0.000	1	105.7490	0.000	1	105.7490	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	104.6810	0.000	1	104.6810	0.000	1	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){1|H<1>,1|I<1>,3|C<3>,3|C<4>}	105.1700	0.000	1	105.1700	0.000	1	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]C)(COO){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	104.8980	0.000	1	104.8980	0.000	1	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.5640	0.000	1	104.5640	0.000	1	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	104.8120	0.000	1	104.8120	0.000	1	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	104.7265	0.012	2	104.7265	0.000	2	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(COO){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.1220	0.000	1	105.1220	0.000	1	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,1|P<4>,2|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	105.4430	0.000	1	105.4430	0.000	1	104.9048	0.081	9	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	106.1240	0.016	2	106.1240	0.000	2	106.1240	0.000	2	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	104.5570	0.157	2	104.5570	0.025	2	104.5570	0.025	2	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<3>,1|N<2>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.3800	0.000	1	105.3800	0.000	1	105.0760	0.199	7	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	104.8650	0.491	4	104.8650	0.241	4	105.0760	0.199	7	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	105.5110	0.000	1	105.5110	0.000	1	105.0760	0.199	7	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.1810	0.000	1	105.1810	0.000	1	105.0760	0.199	7	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	105.7590	0.000	1	105.7590	0.000	1	105.7590	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	105.2575	0.453	2	105.2575	0.205	2	105.2575	0.205	2	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	103.2360	0.000	1	103.2360	0.000	1	103.2360	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]C)(NOO){1|H<1>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	104.1910	0.000	1	104.1910	0.000	1	104.1910	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.4940	0.000	1	105.4940	0.000	1	105.4940	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.4320	0.000	1	105.4920	0.007	2	105.4920	0.007	2	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.5520	0.000	1	105.4920	0.007	2	105.4920	0.007	2	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	105.3407	1.150	32	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	107.9880	0.051	2	107.9880	0.003	2	108.3117	0.316	3	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	108.9590	0.000	1	108.9590	0.000	1	108.3117	0.316	3	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,5|C<3>}	107.1460	0.000	1	107.1460	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	107.1880	0.000	1	107.1880	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	106.5620	0.000	1	106.5620	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	106.4270	0.000	1	106.4270	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	107.0240	0.000	1	107.0240	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.0950	0.000	1	106.0950	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	106.3430	0.000	1	106.3430	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7090	0.000	1	105.7090	0.000	1	106.5618	0.280	8	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHN)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHN){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	108.4870	0.000	1	108.4870	0.000	1	108.5017	0.213	3	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(COO){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	108.0480	0.000	1	108.0480	0.000	1	108.5017	0.213	3	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	108.9700	0.000	1	108.9700	0.000	1	108.5017	0.213	3	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCC)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCC){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	109.8513	1.000	3	109.8513	1.000	3	109.7398	0.716	4	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	109.4050	0.000	1	109.4050	0.000	1	109.7398	0.716	4	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a]){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	106.5620	0.000	1	106.5620	0.000	1	106.5620	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	106.3070	0.000	1	106.3070	0.000	1	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|I<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)(CC[6a]O){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	107.5670	0.000	1	107.5670	0.000	1	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]2)(COO){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.0730	0.000	1	107.0730	0.000	1	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.6334	0.248	5	106.6742	0.059	6	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.8780	0.000	1	106.6742	0.059	6	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	107.4570	0.000	1	107.5550	0.019	2	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	107.6530	0.000	1	107.5550	0.019	2	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.2405	0.356	2	107.3953	0.135	3	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.7050	0.000	1	107.3953	0.135	3	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.4125	0.136	2	106.4125	0.019	2	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	108.1010	0.000	1	108.1010	0.000	1	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|C<2>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	107.1690	0.000	1	107.8587	0.576	3	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	108.2035	0.663	2	107.8587	0.576	3	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.4010	0.000	1	106.6127	0.048	3	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	106.7185	0.169	2	106.6127	0.048	3	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.3628	0.493	4	107.1284	0.457	5	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	106.1910	0.000	1	107.1284	0.457	5	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.7830	0.000	1	106.7830	0.000	1	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	106.9440	0.000	1	106.9440	0.000	1	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	106.7985	0.127	2	106.7985	0.016	2	107.0498	0.352	32	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	108.4030	0.000	1	108.4030	0.000	1	108.1622	0.160	6	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	107.5800	0.000	1	107.5800	0.000	1	108.1622	0.160	6	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|O<1>,1|O<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	108.2530	0.000	1	108.2530	0.000	1	108.1622	0.160	6	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	108.4410	0.000	1	108.4410	0.000	1	108.1622	0.160	6	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	108.1480	0.564	2	108.1480	0.318	2	108.1622	0.160	6	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|N<3>,5|C<3>}	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	107.1200	0.000	1	107.1200	0.000	1	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	106.8820	0.000	1	106.8820	0.000	1	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.3100	0.000	1	109.1493	2.265	3	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.6890	0.000	1	109.1493	2.265	3	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.4490	0.000	1	109.1493	2.265	3	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.7720	0.000	1	107.7720	0.000	1	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.3160	0.095	2	107.3160	0.009	2	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.6220	0.000	1	106.6220	0.000	1	107.8307	1.644	9	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O){1|O<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C){1|N<3>,1|O<1>,3|C<3>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	109.1530	0.000	1	109.1530	0.000	1	108.5300	0.776	2	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	107.9070	0.000	1	107.9070	0.000	1	108.5300	0.776	2	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	107.1485	0.856	4	107.1485	0.733	4	106.7382	1.392	5	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NOO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NOO){1|Cl<1>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>}	105.0970	0.000	1	105.0970	0.000	1	106.7382	1.392	5	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	106.9367	0.193	3	106.9367	0.037	3	106.9367	0.037	3	107.5171	1.217	84	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B){2|F<1>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	108.4180	0.000	1	108.4180	0.000	1	107.8950	0.179	6	108.1170	0.494	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H){3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	108.0213	0.283	3	108.0213	0.080	3	107.8950	0.179	6	108.1170	0.494	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.4440	0.081	2	107.4440	0.006	2	107.8950	0.179	6	108.1170	0.494	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN){1|H<1>,2|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	108.1170	0.494	7	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	106.0780	0.000	1	106.0780	0.000	1	106.0922	0.161	5	106.1555	0.153	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCCH){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	105.6870	0.000	1	105.6870	0.000	1	106.0922	0.161	5	106.1555	0.153	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.4920	0.120	2	106.4920	0.014	2	106.0922	0.161	5	106.1555	0.153	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	105.7120	0.000	1	105.7120	0.000	1	106.0922	0.161	5	106.1555	0.153	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.1555	0.153	6	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	109.6485	0.136	2	109.6485	0.019	2	109.6485	0.019	2	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CC[6a]CH){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	108.8185	0.323	2	108.8185	0.104	2	109.2048	0.187	6	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	109.5700	0.113	3	109.5700	0.013	3	109.2048	0.187	6	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CHHO){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	108.8820	0.000	1	108.8820	0.000	1	109.2048	0.187	6	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|I<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	109.3740	0.576	2	109.2187	0.238	3	109.2187	0.238	3	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|S<4>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	108.9080	0.000	1	109.2187	0.238	3	109.2187	0.238	3	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	108.2160	0.000	1	108.2160	0.000	1	107.8734	0.242	11	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	107.3190	0.000	1	107.3190	0.000	1	107.8734	0.242	11	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	108.1210	0.000	1	108.1210	0.000	1	107.8734	0.242	11	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	107.2870	0.000	1	107.2870	0.000	1	107.8734	0.242	11	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	108.2295	0.241	4	108.2295	0.058	4	107.8734	0.242	11	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.3670	0.615	2	107.3670	0.378	2	107.8734	0.242	11	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	108.0120	0.000	1	108.0120	0.000	1	107.8734	0.242	11	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	109.4590	0.000	1	109.2920	0.056	2	109.2920	0.056	2	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	109.1250	0.000	1	109.2920	0.056	2	109.2920	0.056	2	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3){1|Cl<1>,1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	114.2880	0.146	2	114.2880	0.021	2	114.0423	0.192	3	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	113.5510	0.000	1	113.5510	0.000	1	114.0423	0.192	3	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	109.1956	3.449	29	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:4:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.3380	0.414	2	105.3380	0.172	2	105.3380	0.172	2	105.2217	0.126	3	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:4:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a]){1|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	104.9890	0.000	1	104.9890	0.000	1	104.9890	0.000	1	105.2217	0.126	3	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:4:3:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-4:B-3:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|O<2>,3|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2){1|H<1>,2|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	106.6303	3.629	489	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	3:4:3:	3:2:4:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H){1|H<1>,3|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){2|H<1>,5|C<4>}	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	105.7920	0.331	2	105.7920	0.110	2	105.7920	0.110	2	105.7920	0.110	2	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]C)(C[5a]C[5,5a,6]H)(H)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5,5a,6]C)(C[5a]C[5,5a,6]H)(H){2|C<4>}	107.4815	0.125	2	107.4815	0.016	2	107.4815	0.016	2	107.4815	0.016	2	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:2:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6]){1|H<1>,2|C<3>,2|C<4>}	106.0618	0.934	6	106.0618	0.873	6	106.0618	0.873	6	106.0618	0.873	6	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H){2|H<1>,3|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO){2|C<4>}	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H)	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)2(H)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H){2|H<1>,3|C<4>}	C[5,5a,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,6|H<1>}	N[5a](C[5a]C[5,5a,6]H)2(H){2|C<4>}	106.8560	0.325	2	106.8560	0.106	2	106.8560	0.106	2	106.8560	0.106	2	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5,5a,6]-3:N[5a]-3:H-1:	C[3x5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a,6]C[5,5a,6]C[3x5,6])(N[5a]C[5a]S)(H)	C[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO)	C[5a](C[5,5a,6]C[5,5a,6]C[3x5,6])(N[5a]C[5a]S)(H){1|H<1>,4|C<4>}	C[5,5a,6](C[3x5,6]C[3x5]C[5,6]C[5])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO){2|C<4>}	106.0255	0.211	2	106.0255	0.045	2	106.0255	0.045	2	106.2124	0.089	5	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H)	C[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5a,6](C[5,5,6]C[3x5]C[5,6]C[6a])(C[5,5a,6]C[3x5,6]C[5a])(C[5a]N[5a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO){2|C<4>}	106.3240	0.438	2	106.3240	0.192	2	106.3370	0.097	3	106.2124	0.089	5	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5,5,6]-4:C[5,5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H)	C[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,5a,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,5a,6]C[5,5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO){2|C<4>}	106.3630	0.000	1	106.3630	0.000	1	106.3370	0.097	3	106.2124	0.089	5	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5,5a,6]-3:N[5a]-3:C-3:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(COO)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5,5a,6]C)(C[5a]C[5,5a,6]H)(H)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(COO){1|C<3>,2|C<4>,2|H<1>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C){1|C<3>,1|O<2>,5|H<1>}	N[5a](C[5a]C[5,5a,6]C)(C[5a]C[5,5a,6]H)(H){2|C<4>}	106.7935	0.235	2	106.7935	0.055	2	106.7935	0.055	2	106.7935	0.055	2	106.3978	0.513	20	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a,5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH){1|O<1>,1|O<2>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	103.8370	0.000	1	103.8370	0.000	1	103.6975	0.039	2	103.6975	0.039	2	103.6975	0.039	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a,5a]	3:3:3:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	103.5580	0.000	1	103.5580	0.000	1	103.6975	0.039	2	103.6975	0.039	2	103.6975	0.039	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a,6]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|O<1>,3|C<3>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	106.3250	0.000	1	106.3250	0.000	1	106.3250	0.000	1	106.4130	0.015	2	106.3287	0.029	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a,6]-3:C-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a,6]C[5a,6]C[6,6a])(COO)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a,6]C[5a,6]C[6,6a])(COO){6|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C){1|H<1>,1|O<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C){2|H<1>,5|C<3>}	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	106.4130	0.015	2	106.3287	0.029	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a,6]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1	106.1600	0.000	1	106.3287	0.029	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(C[5]O[5]CC)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(C[5]O[5]CC){1|O<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	106.2590	0.000	1	106.6145	0.253	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5,5a]-3:C-2:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CN)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CN){1|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	106.6145	0.253	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(H)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)2(H){2|S<2>}	106.5097	0.293	6	106.5097	0.086	6	106.5097	0.086	6	106.5097	0.086	6	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6])(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6])(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<1>}	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2){2|C<2>,2|H<1>,2|S<2>}	107.2770	0.768	2	107.2770	0.590	2	107.2770	0.590	2	107.2844	0.146	20	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<1>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|S<2>}	107.1078	0.392	4	107.2852	0.129	18	107.2852	0.129	18	107.2844	0.146	20	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|H<1>,2|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|S<2>}	107.3359	0.346	14	107.2852	0.129	18	107.2852	0.129	18	107.2844	0.146	20	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<4>,2|C<3>}	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3){2|S<2>}	107.9210	0.000	1	107.9210	0.000	1	107.1118	0.511	13	107.1469	0.647	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(CCHH)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5,5a]H)2(CCHH){2|S<2>}	107.2155	0.441	2	107.2155	0.194	2	107.1118	0.511	13	107.1469	0.647	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	107.0102	0.757	10	107.0102	0.573	10	107.1118	0.511	13	107.1469	0.647	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<4>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){2|S<2>}	106.2550	0.089	2	106.2550	0.008	2	106.2550	0.008	2	107.1469	0.647	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:I-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(I)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]I)(S[5]C[5])	N[5a](C[5a]C[5,5a]I)2(CH3)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(I){1|C<3>,1|I<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]I)(S[5]C[5]){1|C<3>,1|C<4>,1|I<1>}	N[5a](C[5a]C[5,5a]I)2(CH3){2|S<2>}	108.2665	0.312	2	108.2665	0.097	2	108.2665	0.097	2	107.1469	0.647	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]2)(N[5a]C[5a]H)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(H)	C[5a](C[5,5a]C[5,5a]2)(N[5a]C[5a]H)(H){1|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5]C[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(H){1|C<3>,1|C<4>}	107.8950	0.000	2	107.8950	0.000	2	107.8950	0.000	2	105.6784	3.573	8	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H)(H)	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a]H)2(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5a]N[5a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5,5a]H)2(H){2|C<3>}	106.9050	0.199	2	106.9050	0.040	2	106.9050	0.040	2	105.6784	3.573	8	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H){1|S<2>,3|C<3>}	104.1700	0.000	1	104.2170	0.004	2	103.9567	0.092	4	105.6784	3.573	8	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H){1|O<2>,3|C<3>}	104.2640	0.000	1	104.2170	0.004	2	103.9567	0.092	4	105.6784	3.573	8	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H){1|N<2>,3|C<3>}	103.7240	0.000	1	103.6965	0.002	2	103.9567	0.092	4	105.6784	3.573	8	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H){4|C<3>}	103.6690	0.000	1	103.6965	0.002	2	103.9567	0.092	4	105.6784	3.573	8	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H){4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.0710	0.000	1	108.0710	0.000	1	108.0710	0.000	1	104.2812	6.422	4	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO){4|C<3>}	103.1170	0.000	1	103.0180	0.058	3	103.0180	0.058	3	104.2812	6.422	4	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO){4|C<3>}	102.9685	0.319	2	103.0180	0.058	3	103.0180	0.058	3	104.2812	6.422	4	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a]H)2(SCOO)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5,5a]H)2(SCOO){1|C<3>,1|C<4>}	106.0460	0.000	1	106.0460	0.000	1	105.7300	0.200	2	104.3427	0.789	19	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]N[5a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	105.4140	0.000	1	105.4140	0.000	1	105.7300	0.200	2	104.3427	0.789	19	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	104.0524	0.333	9	104.0524	0.111	9	104.1795	0.606	17	104.3427	0.789	19	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)(O){1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	104.3224	1.102	8	104.3224	1.214	8	104.1795	0.606	17	104.3427	0.789	19	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:4:	3:2:1:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:4:	3:2:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3){2|C<4>}	106.2930	0.000	1	106.2930	0.000	1	106.2930	0.000	1	105.5455	1.118	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:4:	3:2:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]S)(H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]S)(H){1|C<4>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO){2|C<4>}	104.7980	0.000	1	104.7980	0.000	1	104.7980	0.000	1	105.5455	1.118	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	107.0990	0.059	2	107.0990	0.004	2	107.0990	0.004	2	107.0990	0.004	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a]H)2(SCOO)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a]C[5,5a]H)2(SCOO){1|C<3>,1|C<4>}	105.9360	0.000	1	105.9360	0.000	1	106.2710	0.224	2	106.2710	0.224	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	106.6060	0.000	1	106.6060	0.000	1	106.2710	0.224	2	106.2710	0.224	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(CHO)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]C)(S[5]C[5])	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(CHO){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]C)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3){2|S<2>}	105.6510	0.000	1	105.6510	0.000	1	105.6510	0.000	1	105.6510	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5,5a]-3:N[5a]-3:C-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(COO)	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]C)	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(COO){1|C<4>,2|C<3>}	C[5,5a](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]C){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1	105.8040	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H){1|O<2>,3|C<3>}	107.1800	0.000	1	107.1800	0.000	1	106.9495	0.106	2	105.6988	1.453	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(H){1|S<2>,3|C<3>}	106.7190	0.000	1	106.7190	0.000	1	106.9495	0.106	2	105.6988	1.453	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H){4|C<3>}	105.5255	0.057	2	105.5255	0.003	2	106.7308	1.394	5	105.6988	1.453	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H){4|C<3>}	106.9560	0.000	1	106.9560	0.000	1	106.7308	1.394	5	105.6988	1.453	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H){1|N<2>,3|C<3>}	107.8235	0.477	2	107.8235	0.228	2	106.7308	1.394	5	105.6988	1.453	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]O)(H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){2|H<1>,2|O<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]O)(H){4|C<3>}	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	105.6988	1.453	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5])	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C)2(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5]){1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a]C[5,5a]C)2(H){2|C<3>}	104.7717	0.337	9	104.7717	0.113	9	104.7717	0.113	9	105.6988	1.453	17	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,4|C<3>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(COO){1|S<2>,3|C<3>}	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	106.2912	0.221	5	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO){4|C<3>}	106.3560	0.000	1	106.3507	0.362	3	106.3507	0.362	3	106.2912	0.221	5	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO){4|C<3>}	105.7460	0.000	1	106.3507	0.362	3	106.3507	0.362	3	106.2912	0.221	5	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO){4|C<3>}	106.9500	0.000	1	106.3507	0.362	3	106.3507	0.362	3	106.2912	0.221	5	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a]){1|O<1>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.4600	0.000	1	106.4600	0.000	1	106.4600	0.000	1	106.2912	0.221	5	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	107.3150	0.000	1	107.3150	0.000	1	106.7307	0.238	9	106.7651	0.779	16	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH){1|O<2>,3|C<3>}	107.0620	0.000	1	107.0620	0.000	1	106.7307	0.238	9	106.7651	0.779	16	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	106.6123	0.515	6	106.6123	0.265	6	106.7307	0.238	9	106.7651	0.779	16	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]S[5a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5,5a]C[5a])(C[5a]C[5,5a]O)(CC[6a]HH){1|S<2>,3|C<3>}	106.5250	0.000	1	106.5250	0.000	1	106.7307	0.238	9	106.7651	0.779	16	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	107.1070	0.000	1	106.8093	1.627	7	106.8093	1.627	7	106.7651	0.779	16	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	106.7597	1.390	6	106.8093	1.627	7	106.8093	1.627	7	106.7651	0.779	16	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]N)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]O[5]HH)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]N){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]O[5]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC){2|C<3>,2|C<4>}	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	105.1470	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[6a]-3:	C[5,5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a,6a]C[5])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H)	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO)	C[5a](C[5,5a]C[5,5a,6a]C[5])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a,6a]C[5a,6a]C[5,6a])(C[5a]C[6a]N[5a])(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:3:	4:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C-3:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5,5])(N[5a]C[5a]H)(COO)	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(H)	C[5a](C[5,5a]C[5,5a]C[5,5])(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C){2|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(H){1|C<3>,1|C<4>}	106.5120	0.000	2	106.5120	0.000	2	106.5120	0.000	2	106.5120	0.000	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]C)(S[5]C[5])	N[5a](C[5a]C[5,5a]C)2(H)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|C<4>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]C)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5,5a]C)2(H){2|S<2>}	105.7875	0.349	8	105.7875	0.122	8	105.7875	0.122	8	105.7875	0.122	8	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5,5a]-3:N[5a]-3:P-4:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P)	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3){3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H){2|C<3>}	105.4710	0.000	1	105.4710	0.000	1	105.4710	0.000	1	105.4710	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CF3){1|N<3>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H){4|C<3>}	107.3185	0.245	2	107.3185	0.060	2	107.3185	0.060	2	107.3185	0.060	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.9845	0.504	2	104.9845	0.254	2	104.9845	0.254	2	104.9845	0.254	2	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:4:	3:3:4:	3:3:2:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]N)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]O[5]HH)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]N)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]O[5]HH){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC){2|C<3>,2|C<4>}	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5,5a]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5,5a]-3:N[5a]-3:C-4:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(CCHH)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C)	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1	106.0962	1.854	140	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(H)	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a,5a]H)2(CH3)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,5a]H)2(CH3){2|C<3>}	106.3565	1.247	2	106.3565	1.554	2	106.3565	1.554	2	106.3565	1.554	2	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:1:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a,5a]-3:C[5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H){7|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]B[5a]C[5a])(C[5a]N[5a]H){1|H<1>,6|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	112.2597	0.255	12	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:1:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,8|C<3>}	112.3893	0.212	4	112.3701	0.078	7	112.3756	0.061	9	112.2597	0.255	12	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:1:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	112.3447	0.407	3	112.3701	0.078	7	112.3756	0.061	9	112.2597	0.255	12	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:1:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H){5|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	112.3020	0.000	1	112.3945	0.017	2	112.3756	0.061	9	112.2597	0.255	12	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:1:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a]H){5|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	112.4870	0.000	1	112.3945	0.017	2	112.3756	0.061	9	112.2597	0.255	12	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:1:	3:3:3:	4:3:3:	C[5a,5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	B[5a]-4:N[5a]-3:C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H)	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,9|C<3>}	111.3590	0.016	2	111.3590	0.000	2	111.3590	0.000	2	112.2597	0.255	12	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]N)	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC){1|N<3>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]N){1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3){4|C<3>}	105.1770	0.000	1	105.1770	0.000	1	105.1770	0.000	1	105.1770	0.000	1	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a]){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH){1|N<2>,3|C<3>}	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a,5a]C)2(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,5a]C)2(H){2|C<3>}	105.5690	0.928	2	105.5690	0.861	2	105.1445	0.527	4	105.1445	0.527	4	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(COO)	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)2	N[5a](C[5a]C[5a,5a]C)2(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(COO){1|C<4>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)2{1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a,5a]C)2(H){2|C<3>}	104.7200	0.000	2	104.7200	0.000	2	105.1445	0.527	4	105.1445	0.527	4	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]N)	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]N){1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3){4|C<3>}	107.1980	0.000	1	107.1980	0.000	1	107.1980	0.000	1	105.6780	4.621	2	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]C)(CCC)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]C)(CCC){1|C<4>,1|S<4>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH){1|C<3>,1|N<3>}	104.1580	0.000	1	104.1580	0.000	1	104.1580	0.000	1	105.6780	4.621	2	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a]-3:C-4:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[5a]2H)	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)2	N[5a](C[5a]C[5a,5a]C)2(H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[5a]2H){1|N<3>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]2)(C[5a]N[5a]C)2{1|Ni<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,5a]C)2(H){2|C<3>}	104.8100	0.000	2	104.8100	0.000	2	104.8100	0.000	2	104.8100	0.000	2	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)(CH3)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)(CH3){1|N<3>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a]C[5a,5a]C)2(CC[6a]HH){1|C<3>,1|N<3>}	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	108.6893	12.938	25	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6,6]	N[5a,6]	3:3:4:	4:3:3:	3:3:4:	C[5a,6,6]-3:N[5a,6]-3:C-4:	C[3x6]-4:C[5a,6,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a,6]B[6])(CH3)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C)	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a,6]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|F<1>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	108.3835	0.156	2	108.3835	0.024	2	108.3835	0.024	2	108.3835	0.024	2	108.3835	0.024	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6,6]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a,6,6]-3:N[5a]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	107.8560	0.195	2	107.8560	0.038	2	107.8560	0.038	2	107.8560	0.038	2	106.2768	0.896	12	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6,6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:N[5a]-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6])	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	106.6955	0.120	2	106.6955	0.014	2	106.6955	0.014	2	105.9610	0.426	10	106.2768	0.896	12	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6,6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]C)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6,6]C)2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a]C[5a,6,6]C)2(H){2|C<4>}	106.2740	0.238	3	106.2740	0.057	3	105.7774	0.353	8	105.9610	0.426	10	106.2768	0.896	12	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6,6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6,6]C)2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[5]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a]C[5a,6,6]C)2(H){2|C<4>}	105.5512	0.597	4	105.5512	0.356	4	105.7774	0.353	8	105.9610	0.426	10	106.2768	0.896	12	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6,6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6,6]-3:N[5a]-3:C-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6,6]C)2(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a]C[5a,6,6]C)2(H){2|C<4>}	105.1920	0.000	1	105.1920	0.000	1	105.7774	0.353	8	105.9610	0.426	10	106.2768	0.896	12	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5a,6]-3:N[5,5a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]C[5])(O)	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(C[5]C[5]W)	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]C[5])(O){1|W<6>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(C[5]C[5]W){1|C<3>,1|H<1>,2|C<4>}	104.8620	0.000	1	104.8620	0.000	1	104.8620	0.000	1	104.8620	0.000	1	105.1580	0.473	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5,5a]-3:N-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<3>,3|C<4>}	104.8430	0.000	1	104.8430	0.000	1	104.7920	0.005	2	104.7920	0.005	2	105.1580	0.473	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5,5a]-3:N-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH)	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<4>,3|C<3>}	104.7410	0.000	1	104.7410	0.000	1	104.7920	0.005	2	104.7920	0.005	2	105.1580	0.473	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5,5a]	3:3:4:	3:3:4:	3:3:3:	C[5a,6]-3:N[5,5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(CH3)	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH)	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	105.1580	0.473	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O){1|C<4>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,5a]C){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C){1|C<4>,1|H<1>,3|C<3>}	105.9087	0.177	3	105.9087	0.031	3	105.9087	0.031	3	105.9087	0.031	3	105.9087	0.031	3	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:H-1:	N[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H){1|H<1>,2|O<2>,5|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	106.5275	0.077	2	106.5275	0.006	2	106.5275	0.006	2	106.5290	0.003	3	109.2280	2.730	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a,6]	3:3:1:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){6|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H){1|H<1>,6|C<3>}	106.5320	0.000	1	106.5320	0.000	1	106.5320	0.000	1	106.5290	0.003	3	109.2280	2.730	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a,6]	3:3:1:	3:3:4:	3:4:3:	C[5a,6]-3:N[5a,6]-3:I-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(I)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]I)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(I){1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]I)(C[6]C[6]HH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	110.9712	1.025	4	110.9712	1.051	4	110.9712	1.051	4	110.9712	1.051	4	109.2280	2.730	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O)	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]C[6])(COO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a,6]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	109.2280	2.730	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	109.5829	0.238	7	109.5829	0.057	7	109.5829	0.057	7	109.5829	0.057	7	109.2280	2.730	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(CC[5a]HH){1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	109.2280	2.730	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6])	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){2|O<2>}	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H){1|O<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	106.3420	0.000	1	106.3420	0.000	1	106.3420	0.000	1	106.3420	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H){2|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|H<1>,3|C<3>}	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H)	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	113.3380	0.000	1	113.3380	0.000	1	113.3380	0.000	1	107.1903	3.658	14	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	105.7655	0.342	2	105.7655	0.117	2	105.7655	0.117	2	107.1903	3.658	14	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	106.9076	0.757	5	106.9076	0.573	5	106.9763	0.329	9	107.1903	3.658	14	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Pd<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	107.0623	0.309	4	107.0623	0.096	4	106.9763	0.329	9	107.1903	3.658	14	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	105.6100	0.000	1	105.6100	0.000	1	105.6100	0.000	1	107.1903	3.658	14	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|H<1>,4|C<3>}	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	107.1903	3.658	14	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	B[6,6a]-3:C[5a,6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6,6a]B[6,6a])(N[5a]C[5a,6a]C)(H)	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH)	C[5a](C[5a,6]C[5a,6,6a]B[6,6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	107.2493	5.819	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]S)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])(C[5a]N[5a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO){1|C<3>,1|C<4>}	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	107.2493	5.819	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH){1|C<3>,1|N<3>}	107.8790	0.000	1	107.8790	0.000	1	107.5875	0.170	2	107.2493	5.819	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	107.2960	0.000	1	107.2960	0.000	1	107.5875	0.170	2	107.2493	5.819	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H)	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<4>}	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH){1|C<3>,1|N<3>}	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	107.2493	5.819	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:O-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O)	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|B<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3){1|B<4>,3|C<3>}	103.8190	0.000	1	103.8190	0.000	1	103.8190	0.000	1	107.2493	5.819	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:2:3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O){2|C<4>}	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.5140	0.000	1	109.5140	0.000	1	109.8000	0.132	5	109.0781	1.460	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.9390	0.016	2	109.9390	0.000	2	109.8000	0.132	5	109.0781	1.460	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|S<2>,2|N<2>,3|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]C[5a,6]H)(H){1|C<4>,2|C<3>}	110.2560	0.000	1	110.2560	0.000	1	109.8000	0.132	5	109.0781	1.460	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.3520	0.000	1	109.3520	0.000	1	109.8000	0.132	5	109.0781	1.460	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){1|C<4>,1|N<3>}	108.8600	0.049	2	108.8600	0.002	2	108.8393	0.003	3	109.0781	1.460	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	N[5a](C[5a]C[5a,6]H)(C[5a]C[5a,6]S)(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]C[5a,6]S)(H){1|C<4>,1|N<3>}	108.7980	0.000	1	108.7980	0.000	1	108.8393	0.003	3	109.0781	1.460	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(O){1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)(H){2|C<4>}	106.1850	0.000	1	106.1850	0.000	1	106.1850	0.000	1	109.0781	1.460	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.6080	0.000	1	110.6080	0.000	1	110.6080	0.000	1	110.0755	0.567	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	110.0755	0.567	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:2:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H){2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){3|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	107.3967	0.881	14	107.3967	0.775	14	107.3967	0.775	14	107.3967	0.775	14	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0568	0.184	5	110.1023	0.104	9	110.1023	0.104	9	110.1023	0.104	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1103	0.568	3	110.1023	0.104	9	110.1023	0.104	9	110.1023	0.104	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3060	0.000	1	110.1023	0.104	9	110.1023	0.104	9	110.1023	0.104	9	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO){1|C<4>,1|H<1>,2|C<3>}	109.9750	0.000	1	109.9750	0.000	1	109.6680	0.188	2	109.6680	0.188	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO){1|C<4>,1|H<1>,2|C<3>}	109.3610	0.000	1	109.3610	0.000	1	109.6680	0.188	2	109.6680	0.188	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	109.8883	0.014	3	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.8150	0.000	1	109.8150	0.000	1	109.9200	0.022	2	109.8883	0.014	3	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	110.0250	0.000	1	110.0250	0.000	1	109.9200	0.022	2	109.8883	0.014	3	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]H)(H)	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){2|C<4>}	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[3,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]C[5a]S)(H)	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO)	C[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[3,6]C[3,6]C[6a]C[3])(C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H){1|S<4>,3|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO){1|C<3>,1|C<4>}	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	108.4805	1.343	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]C)(H)	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6]H)2(CH3)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]H)2(CH3){1|C<3>,1|C<4>}	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	108.4805	1.343	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:2:	3:4:3:	3:3:2:	C[5a,6]-3:N[5a]-3:O-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(OH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6]){1|H<1>,2|C<3>,2|C<4>}	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(CCH)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6])	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(CCH){1|C<4>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]N[5a]C)(O[6]C[6]){1|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){2|O<2>}	105.4540	0.000	1	105.4540	0.000	1	105.4540	0.000	1	105.4540	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){1|H<1>,2|O<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,3|C<3>}	103.6570	0.000	1	103.6570	0.000	1	103.6570	0.000	1	103.6570	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6]-3:N[5a]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	105.5305	0.306	2	105.5305	0.094	2	105.5305	0.094	2	105.5305	0.094	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	N[5a](C[5a]C[5a,6]C[6a])2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])2(H){1|C<4>,5|C<3>}	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	105.8117	0.113	3	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)(COO)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){1|C<4>,1|N<3>}	105.7505	0.450	2	105.7505	0.203	2	105.7505	0.203	2	105.8117	0.113	3	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(COO)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)2(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(COO){1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C){1|C<4>,1|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C)2(CH3){2|C<3>}	108.2445	0.794	2	108.2445	0.631	2	108.2445	0.631	2	108.2445	0.631	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,1|N<3>,2|C<3>}	105.8130	0.000	1	105.8130	0.000	1	105.8130	0.000	1	106.7855	1.892	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(COO)	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(COO){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	106.7855	1.892	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:3:	C[5a,6]-3:N[5a]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|H<1>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O){1|C<4>,1|N<3>}	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){2|C<4>}	106.7310	0.000	1	106.7310	0.000	1	106.7120	0.001	2	106.7120	0.001	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHS)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHS){1|C<4>,1|N<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH){2|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH){2|C<4>}	106.6930	0.000	1	106.6930	0.000	1	106.7120	0.001	2	106.7120	0.001	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]C)2(H)	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	N[5a](C[5a]C[5a,6]C)2(H){2|C<4>}	107.1915	0.180	2	107.1915	0.033	2	107.1915	0.033	2	107.0450	0.481	5	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	N[5a](C[5a]C[5a,6]C[6a])2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]C[6a])2(H){1|C<4>,5|C<3>}	107.1480	0.000	1	107.1480	0.000	1	107.1480	0.000	1	107.0450	0.481	5	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CC[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH)	N[5a](C[5a]C[5a,6]C)2(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CC[5a]H){1|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	N[5a](C[5a]C[5a,6]C)2(H){2|C<4>}	105.9090	0.000	1	105.9090	0.000	1	106.8470	1.760	2	107.0450	0.481	5	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(COO)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO)	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(COO){1|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO){1|C<4>,1|O<2>,3|H<1>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){2|C<4>}	107.7850	0.000	1	107.7850	0.000	1	106.8470	1.760	2	107.0450	0.481	5	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3)	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|I<1>,9|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	4:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){11|C<3>,1|O<2>}	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	106.6800	0.000	1	106.6800	0.000	1	106.6455	0.002	2	106.6455	0.002	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:3:	4:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){10|C<3>}	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	106.6110	0.000	1	106.6110	0.000	1	106.6455	0.002	2	106.6455	0.002	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.3450	0.000	1	104.3450	0.000	1	104.3450	0.000	1	104.3450	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C){1|C<4>,2|C<3>,2|O<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	104.7785	0.318	10	104.7785	0.101	10	104.7785	0.101	10	104.7785	0.101	10	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:S-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)(SC[6a]OO)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]S)(N[6]C[6]C)	N[5a](C[5a]C[5a,6]H)(C[5a]C[5a,6]S)(H)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]S)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]C[5a,6]S)(H){1|C<4>,1|N<3>}	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)(CCHH){2|C<3>,2|C<4>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]C){2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	105.9210	0.095	2	105.9210	0.009	2	105.9210	0.009	2	105.9210	0.009	2	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:2:3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2){1|H<1>,2|C<3>,2|C<4>}	105.1380	0.000	1	105.1380	0.000	1	105.1380	0.000	1	105.1380	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]C)2(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]C)2(H){2|C<4>}	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(CC[6a]HN)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(CC[6a]HN){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]C)2(CC[6a]HH){1|C<3>,1|C<4>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CCHH)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	106.2310	0.000	1	106.2310	0.000	1	106.2508	0.138	6	106.2508	0.138	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	105.9235	0.207	2	105.9235	0.043	2	106.2508	0.138	6	106.2508	0.138	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	106.1750	0.000	1	106.1750	0.000	1	106.2508	0.138	6	106.2508	0.138	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	106.6260	0.380	2	106.6260	0.145	2	106.2508	0.138	6	106.2508	0.138	6	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.0910	0.000	1	108.1913	0.047	3	108.1913	0.047	3	108.1913	0.047	3	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(CC3){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.2415	0.282	2	108.1913	0.047	3	108.1913	0.047	3	108.1913	0.047	3	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CCHH)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CCHH){1|O<2>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	106.1765	0.012	2	106.1765	0.000	2	105.9135	0.045	8	106.0900	0.147	11	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C[5a,6](C[5,6]C[5,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	106.0570	0.000	1	106.0570	0.000	1	105.9135	0.045	8	106.0900	0.147	11	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	105.5870	0.000	1	105.5870	0.000	1	105.9135	0.045	8	106.0900	0.147	11	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	105.7070	0.000	1	105.7070	0.000	1	105.9135	0.045	8	106.0900	0.147	11	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|N<3>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	105.8820	0.007	2	105.8820	0.000	2	105.9135	0.045	8	106.0900	0.147	11	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	C[5a,6](C[5,6]C[6,6]C[5]2)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|H<1>,2|O<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	105.8400	0.000	1	105.8400	0.000	1	105.9135	0.045	8	106.0900	0.147	11	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6]	N[5a]	3:3:4:	4:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C-4:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	106.5607	0.348	3	106.5607	0.121	3	106.5607	0.121	3	106.0900	0.147	11	107.2874	3.245	129	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O)	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O){1|C<4>,5|C<3>}	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,5a]	3:3:1:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,5a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]C[5a,5a]B[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H)	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]C[5a,5a]B[5a])(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,5a]H){1|B<4>,1|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H){1|H<1>,7|C<3>}	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	104.9405	8.267	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,5a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,5a]N[5a])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	103.2130	0.417	2	103.2130	0.174	2	103.2130	0.174	2	103.2130	0.174	2	104.9405	8.267	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CHI)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CHI){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	104.1490	0.000	1	104.1490	0.000	1	104.1490	0.000	1	104.1490	0.000	1	104.9405	8.267	4	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	110.3410	0.000	1	110.3410	0.000	1	109.7905	0.606	2	109.7905	0.606	2	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,3|C<3>,3|F<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	109.2400	0.000	1	109.2400	0.000	1	109.7905	0.606	2	109.7905	0.606	2	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a])	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(N[6a]C[6a]){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	107.2430	0.000	1	107.2430	0.000	1	107.2430	0.000	1	107.2430	0.000	1	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]N[6a])(C[5a]N[5a,6]C[6a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,2|N<3>,6|C<3>}	105.8410	0.000	1	105.8410	0.000	1	105.8410	0.000	1	105.8410	0.000	1	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a]-3:N[5a,6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6]){2|F<1>,2|H<1>,2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.6460	0.000	1	108.6460	0.000	1	108.6460	0.000	1	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(CHN)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(CHN){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	107.1183	0.220	3	107.1183	0.049	3	107.1183	0.049	3	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	107.9320	0.000	1	108.4105	0.105	8	108.4177	0.070	12	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	108.3800	0.446	3	108.4105	0.105	8	108.4177	0.070	12	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	108.5860	0.000	1	108.4105	0.105	8	108.4177	0.070	12	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	108.5420	0.113	3	108.4105	0.105	8	108.4177	0.070	12	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a]){1|C<2>,1|C<4>,1|F<1>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]CF){1|N<3>,5|C<3>}	108.5155	0.054	2	108.5155	0.003	2	108.4177	0.070	12	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a]){1|N<2>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|S<2>,5|C<3>}	108.3490	0.013	2	108.3490	0.000	2	108.4177	0.070	12	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.6075	0.291	2	108.6075	0.084	2	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	108.6275	0.190	2	108.6275	0.036	2	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.4230	0.069	2	108.6962	0.090	13	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	108.6583	0.262	7	108.6962	0.090	13	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	108.8992	0.339	4	108.6962	0.090	13	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	109.4845	0.360	2	109.4845	0.130	2	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){2|Cl<1>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	108.6920	0.088	2	108.6920	0.008	2	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	108.7585	0.308	2	108.7585	0.095	2	108.7561	0.120	23	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	108.9510	0.156	2	108.9510	0.024	2	109.1610	0.144	3	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a])	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6]C[6a]){1|B<4>,1|H<1>,1|N<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	109.5810	0.000	1	109.5810	0.000	1	109.1610	0.144	3	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H){1|N<3>,3|C<3>,3|F<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.5728	0.292	43	108.5382	0.544	47	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]N[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	104.1980	0.000	1	104.1980	0.000	1	104.1980	0.000	1	104.5150	0.201	2	105.6942	1.189	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,6|C<3>}	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	104.5150	0.201	2	105.6942	1.189	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	106.0620	0.000	1	106.0620	0.000	1	106.0620	0.000	1	106.3664	0.519	5	105.6942	1.189	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(COO){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	107.6040	0.000	1	107.6040	0.000	1	107.6040	0.000	1	106.3664	0.519	5	105.6942	1.189	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.0553	0.285	3	106.0553	0.081	3	106.0553	0.081	3	106.3664	0.519	5	105.6942	1.189	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a,6a]	3:3:4:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(O[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	104.6920	0.000	1	104.6920	0.000	1	104.6920	0.000	1	104.6920	0.000	1	105.6942	1.189	8	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[5,6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]C[5a]C)(O){1|C<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[5,6a])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|S<2>}	106.2225	0.145	2	106.2225	0.021	2	106.2225	0.021	2	106.2225	0.021	2	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C[6])(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C[6])(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]H)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]H)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H){2|C<3>}	108.9405	0.296	2	108.9405	0.088	2	108.9405	0.088	2	108.9405	0.088	2	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl){3|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8660	0.000	1	105.8660	0.000	1	106.3366	0.356	8	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	106.5250	0.621	4	106.4039	0.373	7	106.3366	0.356	8	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.2423	0.687	3	106.4039	0.373	7	106.3366	0.356	8	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO){2|C<3>}	107.4228	0.291	4	107.4228	0.085	4	107.4228	0.085	4	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]S[5a])(O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.2973	0.379	3	108.2973	0.144	3	108.2973	0.144	3	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS){2|C<3>}	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.1120	0.000	1	102.3000	0.071	2	102.3000	0.071	2	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.4880	0.000	1	102.3000	0.071	2	102.3000	0.071	2	106.5585	2.953	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH){2|C<3>}	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	106.1873	0.335	3	106.1873	0.112	3	106.1873	0.112	3	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	106.4270	0.000	1	106.4270	0.000	1	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|C<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	105.9760	0.000	1	105.9760	0.000	1	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	106.6555	0.090	2	106.5973	0.145	16	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	106.6400	0.081	2	106.5973	0.145	16	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	106.5804	0.441	12	106.5973	0.145	16	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	106.6560	0.426	2	106.6560	0.181	2	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	106.5083	0.409	3	106.5083	0.167	3	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	105.7540	0.000	1	105.7540	0.000	1	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	106.3950	0.000	1	106.3950	0.000	1	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	106.0140	0.399	2	106.0140	0.159	2	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	105.9775	0.166	2	105.9775	0.028	2	106.4458	0.173	29	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|Cl<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	106.1830	0.000	1	106.1830	0.000	1	106.7757	0.268	3	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[5])(C[5a]N[5a]H){1|C<3>,3|C<4>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	107.0720	0.096	2	107.0720	0.009	2	106.7757	0.268	3	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	106.8740	0.000	1	106.8740	0.000	1	106.8740	0.000	1	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3){2|C<3>}	103.9790	0.000	1	104.2860	0.188	2	104.2860	0.188	2	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CH3){2|C<3>}	104.5930	0.000	1	104.2860	0.188	2	104.2860	0.188	2	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	109.1150	0.000	1	109.2075	0.017	2	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	109.3000	0.000	1	109.2075	0.017	2	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH){2|C<3>}	109.3990	0.000	1	109.3990	0.000	1	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	108.6552	0.265	4	108.6552	0.070	4	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC){2|C<3>}	109.1960	0.000	1	109.1960	0.000	1	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	108.4280	0.000	1	108.4280	0.000	1	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN){2|C<3>}	108.6330	0.000	1	108.6330	0.000	1	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO){2|C<3>}	108.8220	0.000	1	108.8220	0.000	1	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]C)(O){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	108.4232	0.394	5	108.4232	0.155	5	108.7269	0.171	16	107.0626	1.518	55	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H){2|C<3>}	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H){2|C<3>}	108.0260	0.643	2	108.0260	0.414	2	108.0260	0.414	2	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|Br<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(H){2|C<3>}	105.7305	0.308	4	105.7305	0.095	4	106.0224	0.232	17	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Cl)(C[5a]N[5a]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(H){2|C<3>}	105.7370	0.263	2	105.7370	0.069	2	106.0224	0.232	17	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)2(H){2|C<3>}	106.1282	0.321	6	106.1282	0.103	6	106.0224	0.232	17	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){1|I<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(H){2|C<3>}	106.3618	0.764	4	106.3618	0.584	4	106.0224	0.232	17	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(O){2|C<3>,2|O<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]O){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)2(H){2|C<3>}	105.7690	0.000	1	105.7690	0.000	1	106.0224	0.232	17	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(O)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(O){1|O<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]O){2|H<1>,2|O<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)2(H){2|C<3>}	104.6900	0.000	1	104.6900	0.000	1	104.6900	0.000	1	106.3058	1.149	21	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	106.4870	0.000	1	106.4870	0.000	1	106.4870	0.000	1	105.9989	0.375	16	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	106.1843	0.100	3	106.1843	0.010	3	106.1927	0.029	13	105.9989	0.375	16	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	106.1952	0.191	10	106.1952	0.036	10	106.1927	0.029	13	105.9989	0.375	16	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]O)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]O)(O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(OH){2|C<3>}	104.4950	0.175	2	104.4950	0.031	2	104.4950	0.031	2	105.9989	0.375	16	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(N[5a]C[5a,6]C[6a])(O)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(N[5a]C[5a,6]C[6a])(O){6|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	105.2404	0.280	10	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.3790	0.000	1	104.3790	0.000	1	104.6808	0.088	4	105.2404	0.280	10	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	104.7813	0.268	3	104.7813	0.072	3	104.6808	0.088	4	105.2404	0.280	10	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|O<1>,6|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	105.7575	0.043	2	105.7575	0.002	2	105.7575	0.002	2	105.2404	0.280	10	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]O){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	105.2740	0.000	1	105.2740	0.000	1	105.2740	0.000	1	105.2404	0.280	10	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])(O)	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])(O){1|O<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	105.6405	0.104	2	105.6405	0.011	2	105.6405	0.011	2	105.2404	0.280	10	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3){2|C<3>,2|N<3>}	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(O)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH){4|C<3>}	106.4860	0.000	1	106.4860	0.000	1	106.4860	0.000	1	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	105.1210	0.148	2	105.1210	0.022	2	105.1210	0.022	2	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	105.7195	0.288	2	105.7195	0.083	2	105.7195	0.083	2	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|C<2>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	106.1532	0.607	4	106.1532	0.369	4	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|C<2>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	105.8319	0.149	8	105.8319	0.022	8	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	106.1361	0.340	8	106.1361	0.116	8	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCCH){2|C<3>}	105.8230	0.305	6	105.8230	0.093	6	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	105.9293	0.312	33	105.9293	0.098	33	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CC[6a]CH){2|C<3>}	105.9005	0.278	4	105.9005	0.077	4	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CC[6a]HH){2|C<3>}	106.0378	0.289	8	106.0378	0.083	8	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CH3){2|C<3>}	105.7605	0.022	2	105.7605	0.000	2	105.9505	0.101	73	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|C<2>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2C){2|C<3>,2|C<4>,4|H<1>}	106.3235	0.711	2	106.3235	0.505	2	106.1397	0.181	16	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	106.1202	0.410	12	106.1202	0.168	12	106.1397	0.181	16	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	106.0735	0.531	2	106.0735	0.282	2	106.1397	0.181	16	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O)	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a,6a]O)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(O){1|O<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]O)2(CCHH){2|C<3>}	106.4525	0.202	2	106.4525	0.041	2	106.4525	0.041	2	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:S-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]S)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]S)2(CCHH){2|C<3>}	106.1415	0.510	2	106.1415	0.260	2	106.1415	0.260	2	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:S-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]S)2(CC[6a]HH){2|C<3>}	105.9215	0.162	2	105.9215	0.026	2	105.9215	0.026	2	106.0451	0.374	102	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.5475	0.408	2	106.5475	0.166	2	105.8727	0.675	4	105.8727	0.675	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	105.0630	0.000	1	105.0630	0.000	1	105.8727	0.675	4	105.8727	0.675	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	105.3330	0.000	1	105.3330	0.000	1	105.8727	0.675	4	105.8727	0.675	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	4:3:2:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	105.9887	0.401	3	105.9887	0.161	3	105.9887	0.161	3	105.9887	0.161	3	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CC){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	104.7710	0.000	1	104.7710	0.000	1	104.7710	0.000	1	105.3270	0.253	3	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.7490	0.000	1	105.7490	0.000	1	105.7490	0.000	1	105.3270	0.253	3	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:Se-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(SeC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(SeC[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4610	0.000	1	105.4610	0.000	1	105.4610	0.000	1	105.3270	0.253	3	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	105.6105	0.087	2	105.6105	0.008	2	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H){2|C<3>}	108.1797	1.282	3	108.1797	1.645	3	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	107.8636	1.028	5	107.8636	1.056	5	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	107.9208	0.626	6	107.9208	0.392	6	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	107.4610	0.180	2	107.4610	0.032	2	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	105.9640	0.489	2	106.1317	0.204	3	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	106.4670	0.000	1	106.1317	0.204	3	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	105.8528	0.298	6	105.8937	0.191	24	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	105.9580	0.000	1	105.8937	0.191	24	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	105.9176	0.531	14	105.8937	0.191	24	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	106.0475	0.076	2	105.8937	0.191	24	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	105.4320	0.000	1	105.8937	0.191	24	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	106.2470	0.303	2	106.2470	0.092	2	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	108.1780	0.000	1	108.1780	0.000	1	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	106.8985	0.233	2	106.8985	0.054	2	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	107.1000	0.000	1	107.1000	0.000	1	106.6458	1.191	51	106.6458	1.191	51	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)2(CH3){2|C<3>}	107.5650	0.093	2	107.5650	0.009	2	107.5650	0.009	2	107.5650	0.009	2	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	4:3:2:	C[5a,6a]-3:N[5a]-3:C-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	B[5a]-4:C[5a]-3:N-2:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN){2|F<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,2|F<1>,4|C<3>}	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	111.2990	0.000	1	111.2990	0.000	1	111.2990	0.000	1	111.4327	0.067	3	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	4:3:2:	C[5a,6a]-3:N[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:N-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN){1|H<1>,2|C<3>,2|F<1>}	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|F<1>}	N[5a](B[5a]N[5a,6a]FF)(C[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	111.4995	0.327	2	111.4995	0.107	2	111.4995	0.107	2	111.4327	0.067	3	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]N[5a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(O[6a]C[6a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]N[5a]H)(COO){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC){1|N<2>,3|C<3>}	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8690	0.000	1	105.8690	0.000	1	105.6722	0.088	5	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8680	0.000	1	105.8680	0.000	1	105.6722	0.088	5	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CNN){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6950	0.286	2	105.6950	0.082	2	105.6722	0.088	5	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.2340	0.000	1	105.2340	0.000	1	105.6722	0.088	5	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]N)(CCH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]N)(CCH){3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	104.4340	0.000	1	104.4340	0.000	1	104.4340	0.000	1	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.0790	0.000	1	105.0790	0.000	1	104.8837	0.037	3	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<3>,1|O<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	104.7860	0.129	2	104.7860	0.017	2	104.8837	0.037	3	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8350	0.561	2	105.8350	0.315	2	106.8823	3.448	3	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NOO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.9770	0.000	1	108.9770	0.000	1	106.8823	3.448	3	105.5722	1.395	13	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	107.2270	0.000	1	107.2270	0.000	1	107.4360	0.069	3	106.8880	1.248	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]F){1|B<4>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	107.5405	0.271	2	107.5405	0.073	2	107.4360	0.069	3	106.8880	1.248	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]S)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]S)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]N[6a]O){1|C<3>,1|S<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO){2|C<3>}	105.2440	0.000	1	105.2440	0.000	1	105.2440	0.000	1	106.8880	1.248	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)2(H){2|C<3>}	105.8830	0.068	2	105.8830	0.005	2	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)2(H){2|C<3>}	106.4310	0.000	1	106.4310	0.000	1	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)2(H){2|C<3>}	106.5043	0.595	3	106.5043	0.354	3	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H){2|C<3>}	108.6760	0.000	1	108.6760	0.000	1	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)2(H){2|C<3>}	104.1230	0.000	1	104.1230	0.000	1	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H){2|C<3>}	105.5640	0.000	1	105.5640	0.000	1	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)2(H){2|C<3>}	107.0110	0.000	1	107.0110	0.000	1	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	106.4540	0.000	1	106.4540	0.000	1	106.3216	1.265	11	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(CHN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]C){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H){2|C<3>}	106.7730	0.465	2	106.7730	0.216	2	106.7730	0.216	2	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6])2(H){6|C<3>}	104.8715	0.148	2	105.0375	0.046	4	105.0375	0.046	4	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6])2(H){6|C<3>}	105.2035	0.084	2	105.0375	0.046	4	105.0375	0.046	4	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6]Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6]Ru){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	106.1644	1.210	19	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|N<2>,3|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	106.6215	0.162	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.1450	0.000	1	107.1450	0.000	1	106.5853	0.235	3	106.6215	0.162	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]O){3|C<4>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	106.3055	0.019	2	106.3055	0.000	2	106.5853	0.235	3	106.6215	0.162	4	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[4a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	103.1910	0.000	1	103.1910	0.000	1	103.1910	0.000	1	106.2810	1.896	7	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO){1|H<1>,3|C<3>}	106.8330	0.000	1	106.8330	0.000	1	106.8330	0.000	1	106.2810	1.896	7	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	106.8342	0.255	4	106.8342	0.065	4	106.7886	0.059	5	106.2810	1.896	7	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	106.6060	0.000	1	106.6060	0.000	1	106.7886	0.059	5	106.2810	1.896	7	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:B[5a]-4:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H){1|N<2>,3|C<3>}	109.8650	0.199	2	109.8650	0.040	2	109.8650	0.040	2	109.8650	0.040	2	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:B[5a]-4:B-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B){2|F<1>,3|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3){4|C<3>}	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	4:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H){3|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H){8|C<3>}	109.4950	0.216	3	109.4950	0.047	3	109.4950	0.047	3	109.4950	0.047	3	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	B[5,5a]-4:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a])(CHN){1|H<1>,2|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){4|C<3>,4|C<4>}	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	106.9170	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CCHN){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	106.0720	0.000	1	106.0720	0.000	1	106.0720	0.000	1	105.9662	0.381	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6450	0.000	1	105.6450	0.000	1	106.3195	0.910	2	105.9662	0.381	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.9940	0.000	1	106.9940	0.000	1	106.3195	0.910	2	105.9662	0.381	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CCHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CCHO){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	105.6670	0.000	1	105.6670	0.000	1	105.6670	0.000	1	105.9662	0.381	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4530	0.000	1	105.4530	0.000	1	105.4530	0.000	1	105.9662	0.381	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CCCH){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)2(H){2|C<3>}	107.0050	0.000	1	107.0050	0.000	1	106.5895	0.345	2	106.5895	0.345	2	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H){2|C<3>}	106.1740	0.000	1	106.1740	0.000	1	106.5895	0.345	2	106.5895	0.345	2	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.8100	0.000	1	107.8100	0.000	1	107.0400	1.186	2	108.1142	14.032	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|O<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|I<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.2700	0.000	1	106.2700	0.000	1	107.0400	1.186	2	108.1142	14.032	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(CC[5a]HO){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	105.9130	0.178	2	105.9130	0.032	2	105.9130	0.032	2	108.1142	14.032	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	Ge[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C[6a])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	114.6650	0.000	1	114.6650	0.000	1	114.6650	0.000	1	108.1142	14.032	5	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a,6a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]Ge[5a]C)(CH3){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(CCHH){2|C<3>}	114.6405	0.719	2	114.6405	0.517	2	114.6405	0.517	2	114.6405	0.517	2	106.5089	2.135	367	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:2:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H){2|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	104.7250	0.082	2	104.7250	0.007	2	104.7250	0.007	2	104.6977	0.006	3	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:2:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a])(H){1|C<3>,1|P<4>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	104.6430	0.000	1	104.6430	0.000	1	104.6430	0.000	1	104.6977	0.006	3	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|B<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	107.8230	0.000	1	107.8433	0.028	3	107.8433	0.028	3	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|B<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	107.6860	0.000	1	107.8433	0.028	3	107.8433	0.028	3	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|B<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	108.0210	0.000	1	107.8433	0.028	3	107.8433	0.028	3	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	106.5920	0.000	1	106.5920	0.000	1	106.5920	0.000	1	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	106.9670	0.000	1	106.5200	0.377	3	106.4070	0.302	4	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){4|H<1>}	106.7730	0.000	1	106.5200	0.377	3	106.4070	0.302	4	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	105.8200	0.000	1	106.5200	0.377	3	106.4070	0.302	4	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	106.0680	0.000	1	106.0680	0.000	1	106.4070	0.302	4	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	106.4760	0.000	2	106.4760	0.000	2	106.3570	0.042	3	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|C<3>,5|H<1>}	106.1190	0.000	1	106.1190	0.000	1	106.3570	0.042	3	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]Cr)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|Cr<6>,1|C<4>,2|C<3>}	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H){2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]Cr){1|C<3>,1|C<4>,2|H<1>}	102.7920	0.000	1	102.7920	0.000	1	103.4845	0.959	2	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5,5a]C[6a])(C[5a]N[5,5a]O)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]N[5,5a]O)(H){1|C<4>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]O)(C[5]C[5]N){2|H<1>,3|C<3>}	104.1770	0.000	1	104.1770	0.000	1	103.4845	0.959	2	106.2915	2.096	13	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5,5a]Br)(C[5a]C[5,5a]H)(Br)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br){2|H<1>,3|C<4>}	C[5a](C[5a]N[5,5a]Br)(C[5a]C[5,5a]H)(Br){2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.9190	0.000	1	107.8895	2.120	2	107.8895	2.120	2	107.3019	0.391	14	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5,5a]Br)(C[5a]C[5,5a]H)(Br)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]Br)(Br){2|H<1>,3|C<4>}	C[5a](C[5a]N[5,5a]Br)(C[5a]C[5,5a]H)(Br){2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	106.8600	0.000	1	107.8895	2.120	2	107.8895	2.120	2	107.3019	0.391	14	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,2|C<4>,2|H<1>}	107.4084	0.156	7	107.2511	0.186	11	107.2040	0.196	12	107.3019	0.391	14	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	107.3225	0.210	2	107.2511	0.186	11	107.2040	0.196	12	107.3019	0.391	14	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	107.2280	0.000	1	107.2511	0.186	11	107.2040	0.196	12	107.3019	0.391	14	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	106.0300	0.000	1	107.2511	0.186	11	107.2040	0.196	12	107.3019	0.391	14	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	106.6860	0.000	1	106.6860	0.000	1	107.2040	0.196	12	107.3019	0.391	14	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<4>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	107.0960	0.233	4	107.0342	0.056	6	106.9823	0.066	7	106.9823	0.066	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<4>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.1010	0.000	1	107.0342	0.056	6	106.9823	0.066	7	106.9823	0.066	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<4>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<4>,1|N<3>,4|H<1>}	106.7200	0.000	1	107.0342	0.056	6	106.9823	0.066	7	106.9823	0.066	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){2|C<4>}	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){2|C<3>,4|H<1>}	106.6710	0.000	1	106.6710	0.000	1	106.9823	0.066	7	106.9823	0.066	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	4:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.8810	0.231	3	107.8810	0.053	3	107.8810	0.053	3	107.4099	0.292	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	4:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<4>,5|H<1>}	107.5580	0.000	1	107.5580	0.000	1	107.0565	0.160	4	107.4099	0.292	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	4:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	106.8893	0.270	3	106.8893	0.073	3	107.0565	0.160	4	107.4099	0.292	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	5:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Si[4,5,5]-5:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]Si[4,5,5]C[5,5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](Si[4,5,5]N[5,5]C[4]2O[5])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]Si[4,5,5]C[5,5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|Si<5>,1|C<3>}	N[5,5a](Si[4,5,5]N[5,5]C[4]2O[5])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,7|H<1>}	110.1707	0.443	4	110.1707	0.196	4	110.1707	0.196	4	110.1782	0.120	6	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	5:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Si[5,5]-5:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|Si<5>,1|C<3>}	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	110.1930	0.105	2	110.1930	0.011	2	110.1930	0.011	2	110.1782	0.120	6	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	6:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]Si[3x5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H)	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]Si[3x5])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>,3|N<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(H){1|Si<6>,1|C<3>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	110.0881	0.316	8	110.0881	0.100	8	110.0881	0.100	8	110.0881	0.100	8	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>}	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[5a]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[5a]O){2|C<3>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	107.7110	0.000	1	107.7110	0.000	1	107.7730	0.008	2	107.4495	0.179	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[6a]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[6a]O){2|C<3>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	107.8350	0.000	1	107.8350	0.000	1	107.7730	0.008	2	107.4495	0.179	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(SC[6a]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(H){2|C<3>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]H)(SC[6a]O){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|S<3>,3|H<1>}	107.1260	0.334	2	107.1260	0.111	2	107.1260	0.111	2	107.4495	0.179	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:4:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(CH3)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]H)(CH3){2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	107.2905	1.420	2	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:4:	3:3:3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(SC[6a]OO)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]S)(H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(SC[6a]OO){1|C<4>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|S<4>,3|C<3>,3|H<1>}	106.4480	0.000	1	106.4480	0.000	1	106.4480	0.000	1	107.2905	1.420	2	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:2:	3:2:3:	3:4:3:	N[5,5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N){1|N<2>,3|C<3>}	103.4250	0.000	1	103.4250	0.000	1	103.4250	0.000	1	103.4250	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(I)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(I){1|S<2>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	103.0275	0.988	2	103.0275	0.976	2	103.0275	0.976	2	103.0275	0.976	2	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:Br-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]Br)(COO)	C[5a](C[5a]N[5,5a]C)(N[5a]C[5,5a])(Br)	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]Br)(COO){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5,5a]C)(N[5a]C[5,5a])(Br){1|C<4>,1|O<2>}	N[5,5a](C[5,5a]N[5a]O[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>}	102.9420	0.000	1	102.9420	0.000	1	102.9420	0.000	1	102.9420	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N){2|C<4>,3|C<3>}	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	104.2750	0.000	1	104.2750	0.000	1	104.2750	0.000	1	104.2750	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a]){7|C<3>}	103.3460	0.000	1	103.3460	0.000	1	103.3460	0.000	1	104.1680	0.147	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	104.3440	0.136	2	104.3440	0.018	2	104.3050	0.019	6	104.1680	0.147	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	104.2855	0.154	4	104.2855	0.024	4	104.3050	0.019	6	104.1680	0.147	7	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:2:3:	4:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	104.6220	0.000	1	104.6220	0.000	1	104.6220	0.000	1	104.6220	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(H){4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	105.6290	0.000	1	105.6290	0.000	1	105.6290	0.000	1	105.6290	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(H){2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	105.9735	0.117	2	105.9735	0.014	2	106.0967	0.052	3	107.0285	3.508	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){1|O<1>,4|H<1>}	106.3430	0.000	1	106.3430	0.000	1	106.0967	0.052	3	107.0285	3.508	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(C[5a]N[5,5a]O)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,5|C<3>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]N[5,5a]O)(H){1|C<4>,3|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	107.0285	3.508	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN){1|C<4>,5|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CCO){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O){2|C<3>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	106.4550	0.000	1	106.4550	0.000	1	106.4550	0.000	1	106.3238	0.263	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])(CHO)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])(CHO){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	106.6315	0.159	2	106.6315	0.025	2	106.6315	0.025	2	106.3238	0.263	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5,5a]H)(CC[6a]O)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){4|C<3>,5|H<1>}	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5,5a]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	105.5770	0.000	1	105.5770	0.000	1	105.5770	0.000	1	106.3238	0.263	4	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCH)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C)	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCH){1|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C){1|H<1>,3|C<3>}	106.1500	0.000	1	106.1500	0.000	1	106.1500	0.000	1	106.1500	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	105.2380	0.000	1	105.4930	0.130	2	105.4930	0.130	2	105.4930	0.130	2	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:3:	3:3:4:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	105.7480	0.000	1	105.4930	0.130	2	105.4930	0.130	2	105.4930	0.130	2	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){1|Cr<6>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H){2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]Cr){1|C<3>,1|O<1>,2|H<1>}	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	108.9780	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CCO)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CCO){4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	106.8615	0.535	2	106.8615	0.287	2	106.5587	0.418	3	106.5587	0.418	3	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O){4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	105.9530	0.000	1	105.9530	0.000	1	106.5587	0.418	3	106.5587	0.418	3	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:4:	3:3:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:S[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C)	C[5a](N[5,5a]C[5,5a]S[5])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a]C[5,5a]H)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|S<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]C){1|H<1>,3|C<3>}	106.6210	0.000	1	106.6210	0.000	1	106.6210	0.000	1	106.6210	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:4:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5,5a]-3:P[5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]P[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3)	N[5,5a](C[5,5a]C[5a]C[5])(P[5]C[6a]S[5]S)(C[5a]C[5a]C)	C[5a](N[5,5a]C[5,5a]P[5])(C[5a]C[5a]C)(CH3){1|C<4>,1|S<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CH3){1|C<3>,1|P<4>}	N[5,5a](C[5,5a]C[5a]C[5])(P[5]C[6a]S[5]S)(C[5a]C[5a]C){1|S<1>,2|C<3>,2|C<4>}	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	6:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	Si[5,5]-6:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH)	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|N<2>,2|O<2>}	C[5a](C[5a]C[5,5a]C)(C[5a]N[5,5a]C)(CCHH){1|Si<6>,1|C<3>}	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C){2|C<4>,4|C<3>}	110.3370	0.559	2	110.3370	0.312	2	110.3370	0.312	2	110.3370	0.312	2	106.9882	4.049	100	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(H){1|C<3>,1|N<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|H<1>,3|C<3>}	104.6600	0.000	1	104.6600	0.000	1	104.6600	0.000	1	111.1132	5.425	11	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	111.0273	0.155	3	111.0273	0.024	3	111.7585	0.938	10	111.1132	5.425	11	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	112.0860	1.104	6	112.0860	1.219	6	111.7585	0.938	10	111.1132	5.425	11	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2{1|C<4>,1|H<1>}	111.9870	0.000	1	111.9870	0.000	1	111.7585	0.938	10	111.1132	5.425	11	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	104.3550	0.000	1	104.5229	0.120	13	104.5229	0.120	13	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	104.3965	0.101	2	104.5229	0.120	13	104.5229	0.120	13	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	104.6223	0.395	7	104.5229	0.120	13	104.5229	0.120	13	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	104.1975	0.108	2	104.5229	0.120	13	104.5229	0.120	13	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<4>}	104.8990	0.000	1	104.5229	0.120	13	104.5229	0.120	13	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	106.5010	0.000	1	106.8013	0.068	3	106.8013	0.068	3	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	106.9720	0.000	1	106.8013	0.068	3	106.8013	0.068	3	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){2|C<3>}	106.9310	0.000	1	106.8013	0.068	3	106.8013	0.068	3	104.9501	0.949	16	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)	C[5a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(Br){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br){1|C<3>,2|C<4>,2|H<1>}	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(Br)	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(Br){1|S<2>,4|C<3>}	C[5a](C[5a]N[5a,5a]Br)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	106.8240	0.000	1	106.8240	0.000	1	106.8240	0.000	1	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	106.9150	0.000	1	105.3881	1.169	7	105.3881	1.169	7	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	105.4652	0.165	4	105.3881	1.169	7	105.3881	1.169	7	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){2|C<3>}	104.4705	1.701	2	105.3881	1.169	7	105.3881	1.169	7	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(H){1|S<2>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	105.5600	0.486	3	105.5600	0.236	3	105.5600	0.236	3	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	105.4157	0.344	3	105.4157	0.118	3	105.4045	0.079	4	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	105.3710	0.000	1	105.3710	0.000	1	105.4045	0.079	4	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	111.8585	0.073	2	111.8585	0.005	2	111.8585	0.005	2	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	108.1700	0.204	3	108.1700	0.042	3	108.1700	0.042	3	106.5290	4.500	21	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:2:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2{1|C<4>,1|H<1>}	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]H)(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	106.8660	0.000	1	106.8660	0.000	1	107.1388	0.258	5	107.1388	0.258	5	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	107.3770	0.544	3	107.3770	0.296	3	107.1388	0.258	5	107.1388	0.258	5	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)2(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)2(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	106.6970	0.000	1	106.6970	0.000	1	107.1388	0.258	5	107.1388	0.258	5	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|N<3>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>,2|N<3>}	107.7470	0.820	2	107.7470	0.673	2	107.7556	0.495	7	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	108.8510	0.000	1	108.8510	0.000	1	107.7556	0.495	7	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|N<2>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	108.1590	0.000	1	108.1590	0.000	1	107.7556	0.495	7	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)2(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)2(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){4|H<1>}	107.4610	0.000	1	107.4610	0.000	1	107.7556	0.495	7	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)2(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]H)2(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	107.4290	0.000	1	107.4290	0.000	1	107.7556	0.495	7	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)2(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a,5a]H)2(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	106.8950	0.000	1	106.8950	0.000	1	107.7556	0.495	7	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|C<3>}	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>,4|C<4>}	105.8110	0.000	1	105.8110	0.000	1	105.8110	0.000	1	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	105.6040	0.000	1	105.6040	0.000	1	105.6040	0.000	1	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	105.8120	0.000	1	105.8120	0.000	1	105.8120	0.000	1	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{1|C<3>,1|C<4>,2|H<1>}	103.9600	0.000	1	103.9600	0.000	1	103.8130	0.043	2	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]O)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(O){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]O)(H){4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{1|C<3>,1|C<4>,2|H<1>}	103.6660	0.000	1	103.6660	0.000	1	103.8130	0.043	2	106.5952	2.739	12	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	108.0680	0.000	1	107.8375	0.106	2	107.8375	0.106	2	107.8375	0.106	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	107.6070	0.000	1	107.8375	0.106	2	107.8375	0.106	2	107.8375	0.106	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:1:	4:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]H)(H)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]H)(H){1|B<4>,1|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H){3|H<1>,5|C<3>}	109.2930	0.227	7	109.2930	0.052	7	109.2930	0.052	7	109.2930	0.052	7	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:2:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){2|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a,5a]H)(S[5a]C[5a,5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	111.6845	0.319	2	111.6845	0.102	2	111.6845	0.102	2	111.6845	0.102	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	105.9650	0.000	1	105.9650	0.000	1	105.9650	0.000	1	105.9650	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3){1|C<3>,1|N<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	105.2630	5.728	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:1:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]O)2{4|C<4>}	103.8850	0.249	2	103.8850	0.062	2	103.8850	0.062	2	105.2630	5.728	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC){4|C<3>}	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,2|C<4>}	100.1984	0.562	2	100.1984	0.316	2	100.1984	0.316	2	100.1984	0.316	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(SC){1|S<2>,4|C<3>}	C[5a](C[5a]N[5a,5a]S)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	108.5830	21.965	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:S-2:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(SC)	C[5a](C[5a]N[5a,5a]S)(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(SC){5|C<3>}	C[5a](C[5a]N[5a,5a]S)(S[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S){2|H<1>,3|C<3>}	111.8970	0.000	1	111.8970	0.000	1	111.8970	0.000	1	108.5830	21.965	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	105.4050	0.000	1	105.4050	0.000	1	105.4050	0.000	1	105.4050	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	105.9017	0.130	3	105.9017	0.017	3	105.9017	0.017	3	105.9017	0.017	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(NN)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(NN){1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]N)(H){1|B<4>,1|N<2>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N){1|C<3>,2|H<1>}	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(COO)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(CN){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(COO){1|C<3>,1|N<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	105.6360	0.000	1	105.6360	0.000	1	105.6360	0.000	1	105.6360	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H){2|C<3>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(H){4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	103.6990	0.000	1	103.6990	0.000	1	103.6990	0.000	1	105.2527	14.332	4	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(H){4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	103.4510	0.000	1	103.4510	0.000	1	103.4510	0.000	1	105.2527	14.332	4	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(I)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(I){1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	102.9490	0.000	1	102.9490	0.000	1	102.9490	0.000	1	105.2527	14.332	4	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(H){1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	105.2527	14.332	4	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(CHO){1|S<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	103.4055	0.071	2	103.4055	0.005	2	103.4055	0.005	2	105.5987	14.432	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	105.5987	14.432	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(COO)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]C)(COO){3|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(COO){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	104.0850	0.000	1	104.0850	0.000	1	104.0850	0.000	1	104.1981	0.394	9	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2{1|C<3>,2|H<1>}	104.8460	0.000	1	104.8460	0.000	1	104.8460	0.000	1	104.1981	0.394	9	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	104.0573	0.708	6	104.0573	0.501	6	104.0573	0.501	6	104.1981	0.394	9	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(NCH){1|N<3>,4|C<3>}	C[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N){1|C<4>,1|H<1>,3|C<3>}	104.5080	0.000	1	104.5080	0.000	1	104.5080	0.000	1	104.1981	0.394	9	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(CCHN){2|C<3>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:2:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(CNO)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(CNO){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(CH3){1|C<3>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	104.9407	0.256	3	104.9407	0.065	3	104.9407	0.065	3	104.9407	0.065	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])2(H)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])2(H){1|N<2>,5|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	104.6820	0.000	1	104.6820	0.000	1	104.6820	0.000	1	104.6820	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5,5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5,5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5,5a]C[5,5a]N[5])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,3|C<3>}	103.9400	0.000	1	103.9400	0.000	1	103.9400	0.000	1	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|S<2>,2|C<3>,3|H<1>}	104.4970	0.000	1	104.4970	0.000	1	102.7999	0.687	9	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Mn<6>,2|H<1>,3|C<3>}	103.0010	0.000	1	102.5877	0.323	8	102.7999	0.687	9	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Re<6>,2|H<1>,3|C<3>}	102.1757	0.245	3	102.5877	0.323	8	102.7999	0.687	9	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|Ru<6>,2|H<1>,3|C<3>}	102.7935	0.655	4	102.5877	0.323	8	102.7999	0.687	9	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	105.2300	0.000	1	105.2300	0.000	1	104.5250	0.994	2	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2{1|P<4>,3|H<1>}	103.8200	0.000	1	103.8200	0.000	1	104.5250	0.994	2	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	104.2793	0.494	3	104.2793	0.244	3	104.2793	0.244	3	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){2|H<1>,4|C<3>}	103.3890	0.219	2	103.3890	0.048	2	103.3890	0.048	2	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	103.5520	0.000	1	103.5520	0.000	1	103.5520	0.000	1	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]O)(CC[6a]H)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]H)(O)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]O)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]H)(O){1|C<3>,1|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	104.2520	0.000	1	104.2520	0.000	1	104.2520	0.000	1	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]O)(H)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]O)(H){4|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,5a]C[6a])2(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])2(H){1|N<2>,5|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){4|H<1>}	106.6690	0.000	1	106.6690	0.000	1	108.8429	1.565	7	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,5a]H)(C[5a]N[5a,5a]N)(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2{1|N<3>,3|H<1>}	108.4765	0.148	2	108.4765	0.022	2	108.8429	1.565	7	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	C[5a](C[5a]N[5a,5a]N)2(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,5a]N)2(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>,2|N<3>}	110.0325	1.015	2	110.0325	1.030	2	108.8429	1.565	7	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO)	C[5a](C[5a]N[5a,5a]N)2(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NOO){2|C<3>,2|N<3>}	C[5a](C[5a]N[5a,5a]N)2(H){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)2{1|N<3>,3|H<1>}	109.1065	0.614	2	109.1065	0.378	2	108.8429	1.565	7	105.0836	6.949	28	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:4:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a,5a])	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(N[5a]C[5a,5a]){1|B<4>,1|H<1>,1|S<2>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,4|C<3>}	105.9080	0.000	1	105.9080	0.000	1	105.9080	0.000	1	105.9080	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(COO)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(COO){1|C<3>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	108.3267	11.593	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a]-3:B[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[5a](B[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]C[6a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](B[5a]N[5a,5a]C[6a])(C[5a]N[5a,5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){8|C<3>}	112.1420	0.000	1	112.1420	0.000	1	112.1420	0.000	1	108.3267	11.593	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)(NNiH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]C)(C[5a]N[5a,5a]N)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)(NNiH){1|C<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]C)(C[5a]N[5a,5a]N){1|Ni<4>,1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	108.3267	11.593	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CCHH)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	110.8113	0.275	3	110.8113	0.076	3	110.7267	0.079	4	110.7540	0.055	6	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	110.4730	0.000	1	110.4730	0.000	1	110.7267	0.079	4	110.7540	0.055	6	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:2:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(CC[6a]HH){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	110.8085	0.172	2	110.8085	0.030	2	110.8085	0.030	2	110.7540	0.055	6	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3){1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	104.4647	0.253	3	104.4647	0.064	3	104.4647	0.064	3	105.5798	5.245	5	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:2:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){2|C<3>}	107.2525	3.395	2	107.2525	11.525	2	107.2525	11.525	2	105.5798	5.245	5	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:2:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,5a]C)(S[5a]C[5a,5a])(CCHN){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	110.3390	0.000	1	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(H)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(H){2|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	108.1810	0.264	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]H)(H){1|C<3>,1|N<2>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)2{1|C<3>,2|H<1>}	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	108.1810	0.264	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){1|B<4>,1|N<2>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,2|H<1>}	108.0470	0.000	1	108.0470	0.000	1	108.0390	0.028	4	108.0390	0.028	4	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	107.8130	0.000	1	107.8130	0.000	1	108.0390	0.028	4	108.0390	0.028	4	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|N<2>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	108.1480	0.098	2	108.1480	0.010	2	108.0390	0.028	4	108.0390	0.028	4	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:1:	4:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(H){1|B<4>,1|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	108.3325	0.148	2	108.3325	0.022	2	108.3325	0.022	2	108.3325	0.022	2	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a,5a]C)(C[5a]N[5a,5a]O)(CH3){2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)2{2|C<4>,2|O<1>}	108.2430	0.062	2	108.2430	0.004	2	108.2430	0.004	2	107.4823	1.738	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,5a]	3:3:4:	3:3:4:	3:3:3:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:P-4:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]P)(CCHH)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]P)(CCHH){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S){2|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)2{1|P<4>,3|H<1>}	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	107.4823	1.738	3	106.6716	7.954	169	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6,6]-3:P[3x6]-3:C[5a]-3:	C[5a](N[5a,6,6]C[5a,6,6]P[3x6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6,6]H)(C[5a]N[5a,6,6]H)(H)	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H)	C[5a](N[5a,6,6]C[5a,6,6]P[3x6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	C[5a](C[5a]C[5a,6,6]H)(C[5a]N[5a,6,6]H)(H){1|C<4>,1|P<3>}	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H){3|H<1>,4|C<3>}	107.6010	0.198	3	107.6010	0.039	3	107.6010	0.039	3	107.6010	0.039	3	107.3920	0.305	5	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a,6,6]-3:B[3x6]-3:C[5a]-3:	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6]C)2(H)	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C)	C[5a](N[5a,6,6]N[5a,6,6]B[3x6])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<4>,2|N<3>}	C[5a](C[5a]N[5a,6,6]C)2(H){2|B<3>}	N[5a,6,6](N[5a,6,6]B[3x6]C[5a])(B[3x6]N[5,6,6]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	107.0785	0.903	2	107.0785	0.815	2	107.0785	0.815	2	107.0785	0.815	2	107.3920	0.305	5	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	107.5000	0.000	1	107.6486	0.284	7	107.5892	0.208	10	107.5892	0.208	10	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	107.3815	0.770	2	107.6486	0.284	7	107.5892	0.208	10	107.5892	0.208	10	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	107.8400	0.788	2	107.6486	0.284	7	107.5892	0.208	10	107.5892	0.208	10	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	107.4750	0.000	1	107.6486	0.284	7	107.5892	0.208	10	107.5892	0.208	10	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	108.1220	0.000	1	107.6486	0.284	7	107.5892	0.208	10	107.5892	0.208	10	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	107.2320	0.000	1	107.2320	0.000	1	107.5892	0.208	10	107.5892	0.208	10	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	107.5600	0.098	2	107.5600	0.010	2	107.5892	0.208	10	107.5892	0.208	10	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:4:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a,6,6a]C)2(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a,6,6a]C)2(H){2|B<4>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.6335	0.094	2	107.6335	0.009	2	108.6470	1.325	6	108.6470	1.325	6	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:4:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3)	C[5a](C[5a]N[5a,6,6a]C)2(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CF3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a,6,6a]C)2(H){2|B<4>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.0925	0.063	2	110.0925	0.004	2	108.6470	1.325	6	108.6470	1.325	6	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6,6a]	3:3:4:	3:3:1:	4:3:3:	N[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[6,6a,6a]-4:N[5a,6,6a]-3:C[5a]-3:	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6a]C)2(H)	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6,6a]B[6,6a,6a]N[5a,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a,6,6a]C)2(H){2|B<4>}	N[5a,6,6a](B[6,6a,6a]N[5,6,6a]C[3x6a]H)(N[5a,6,6a]B[6,6a,6a]C[5a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	108.2150	0.078	2	108.2150	0.006	2	108.6470	1.325	6	108.6470	1.325	6	107.9859	0.846	16	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:2:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(Br)	C[5a](C[5a]N[5a,6]Br)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(Br){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a,6]Br)(N[5a]C[5a,6])(H){1|C<4>,1|N<2>}	N[5a,6](C[5a,6]C[3,6]N[5a])(C[5a]C[5a]Br)(N[6]C[6]){1|Cl<1>,2|C<4>,2|H<1>}	106.1490	0.359	2	106.1490	0.129	2	106.1490	0.129	2	106.1490	0.129	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H){3|N<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H){1|Cu<5>,1|H<1>,4|C<3>}	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	105.1320	0.095	13	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]2)(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	105.0363	0.237	10	105.0363	0.056	10	105.0363	0.056	10	105.1320	0.095	13	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	105.8380	0.000	1	105.8380	0.000	1	105.8380	0.000	1	105.1320	0.095	13	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	105.3220	0.000	1	105.3220	0.000	1	105.3220	0.000	1	105.1320	0.095	13	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl)	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Cl)(Cl){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]Cl)(N[5a]C[5a,6])(Cl){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	106.1760	0.000	1	106.1760	0.000	1	106.1760	0.000	1	104.9803	0.455	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|F<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	104.8950	0.000	1	104.8950	0.000	1	104.7412	0.140	5	104.9803	0.455	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,2|F<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,2|C<3>,2|F<1>}	104.4145	0.128	2	104.5063	0.033	3	104.7412	0.140	5	104.9803	0.455	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|F<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	104.6900	0.000	1	104.5063	0.033	3	104.7412	0.140	5	104.9803	0.455	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>}	105.2920	0.000	1	105.2920	0.000	1	104.7412	0.140	5	104.9803	0.455	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	105.8810	0.000	1	105.8810	0.000	1	105.6760	0.035	3	105.6760	0.035	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	105.5735	0.078	2	105.5735	0.006	2	105.6760	0.035	3	105.6760	0.035	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<2>,1|H<1>,2|C<3>}	106.6880	0.000	1	106.7370	0.005	2	106.3763	0.393	3	107.2014	1.612	5	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	106.7860	0.000	1	106.7370	0.005	2	106.3763	0.393	3	107.2014	1.612	5	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C){1|H<1>,2|C<3>}	105.6550	0.000	1	105.6550	0.000	1	106.3763	0.393	3	107.2014	1.612	5	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H)	C[5a](N[5a,6]C[5a,6]N[6])(C[5a]S[5a]C)(O){1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|N<2>,1|N<3>}	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>}	108.4390	0.745	2	108.4390	0.555	2	108.4390	0.555	2	107.2014	1.612	5	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	105.5275	0.049	2	105.5275	0.002	2	105.5275	0.002	2	108.4142	7.084	5	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	110.6420	0.068	2	110.3387	0.278	3	110.3387	0.278	3	108.4142	7.084	5	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]S[5a]N[6])(C[5a]C[5a]O)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	109.7320	0.000	1	110.3387	0.278	3	110.3387	0.278	3	108.4142	7.084	5	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:4:3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CCH)	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CCH){1|C<4>,1|N<2>}	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	109.5000	0.000	1	109.5000	0.000	1	109.9056	0.084	21	109.9056	0.084	21	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:4:3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[5a]H)	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[5a]H){1|C<4>,1|N<2>}	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	109.6940	0.000	1	109.6940	0.000	1	109.9056	0.084	21	109.9056	0.084	21	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:3:	3:4:3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(O){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	109.9381	0.284	19	109.9381	0.081	19	109.9056	0.084	21	109.9056	0.084	21	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:2:4:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|N<3>,1|O<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){1|C<3>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>}	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]N[5a,6]H)(H)	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]N[5a,6]H)(H){1|C<4>,3|C<3>}	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	108.1870	0.000	1	108.1870	0.000	1	108.0835	0.028	4	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	107.8850	0.000	1	107.8850	0.000	1	108.0835	0.028	4	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	108.0080	0.000	1	108.1310	0.030	2	108.0835	0.028	4	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	108.2540	0.000	1	108.1310	0.030	2	108.0835	0.028	4	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]N[6,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]N[6,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|C<4>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.9190	0.000	1	107.9190	0.000	1	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.8640	0.000	1	108.8985	5.471	4	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	107.5650	0.000	1	108.8985	5.471	4	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	107.7630	0.000	1	108.8985	5.471	4	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){2|C<3>,2|N<3>,4|H<1>}	112.4020	0.000	1	108.8985	5.471	4	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	106.9670	0.000	1	107.6461	0.338	12	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.5080	0.000	1	107.6461	0.338	12	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|N<2>,3|H<1>}	108.2510	0.000	1	107.6461	0.338	12	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	107.7883	0.460	7	107.6461	0.338	12	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	108.0140	0.000	1	107.6461	0.338	12	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	106.4950	0.000	1	107.6461	0.338	12	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	107.7530	0.000	1	107.7530	0.000	1	107.9455	1.463	18	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	106.3050	0.000	1	106.4060	0.020	2	106.3900	0.011	3	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	106.5070	0.000	1	106.4060	0.020	2	106.3900	0.011	3	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	106.3580	0.000	1	106.3580	0.000	1	106.3900	0.011	3	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:B[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H)	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|Si<4>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	109.1100	0.000	1	109.1100	0.000	1	109.1100	0.000	1	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I)	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I){1|C<4>,1|H<1>,4|C<3>}	105.6050	0.000	1	105.6050	0.000	1	105.6050	0.000	1	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N)	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H){1|C<3>,1|C<4>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	104.7760	0.000	1	104.7760	0.000	1	104.7760	0.000	1	107.6842	1.672	31	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	109.7363	0.067	3	109.7363	0.004	3	109.7363	0.004	3	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H){2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,3|H<1>}	108.0460	0.000	1	108.0460	0.000	1	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,3|H<1>}	108.1080	0.000	1	108.1080	0.000	1	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	108.3990	0.225	2	108.1183	0.150	10	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.8150	0.000	1	108.1183	0.150	10	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,4|H<1>}	107.7680	0.000	1	108.1183	0.150	10	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	107.9670	0.281	6	108.1183	0.150	10	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	108.3070	0.000	1	108.3990	0.501	3	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,5|H<1>}	108.4450	0.994	2	108.3990	0.501	3	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<4>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|H<1>}	108.2280	0.000	1	108.2280	0.000	1	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	107.8410	0.000	1	107.8410	0.000	1	108.1531	0.166	17	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO)	C[5a](N[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(O){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H){2|C<4>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	104.6460	0.387	2	104.6460	0.150	2	104.6460	0.150	2	108.1244	1.704	23	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	110.7093	0.731	6	110.7093	0.535	6	110.6869	0.661	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	110.4920	0.000	1	110.4920	0.000	1	110.6869	0.661	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]C[5a,6]C[5a])(C[5a]N[5a,6]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C[5a])(C[5a]N[5a,6]Br)(Br){1|B<4>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	110.6150	0.000	1	110.6150	0.000	1	110.6869	0.661	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(Br){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	110.7016	0.991	9	110.7016	0.982	9	110.6869	0.661	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Br)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Br){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Br)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	110.4890	0.361	2	110.4890	0.130	2	110.4890	0.130	2	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	111.2384	0.487	5	111.2384	0.237	5	111.8324	1.188	7	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]O)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Br){1|C<3>,1|N<3>,1|O<2>,2|F<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]O)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	113.3175	0.047	2	113.3175	0.002	2	111.8324	1.188	7	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C){1|C<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|H<1>,3|C<3>}	109.0545	2.312	2	109.0545	5.343	2	109.0545	5.343	2	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-1:	C[5a]-3:C[5a]-3:I-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(C)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(C){1|C<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|I<1>,3|C<3>}	107.5405	0.366	2	107.5405	0.134	2	107.5405	0.134	2	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	110.9020	0.317	2	110.4243	0.376	4	110.3273	0.170	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]Cl)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	109.9465	0.339	2	110.4243	0.376	4	110.3273	0.170	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]Cl)(Cl){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	110.7625	0.086	2	110.7625	0.007	2	110.3273	0.170	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	110.2943	0.323	4	110.2129	0.103	11	110.3273	0.170	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	109.7925	0.169	2	110.2129	0.103	11	110.3273	0.170	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	110.3160	0.251	5	110.2129	0.103	11	110.3273	0.170	17	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	111.7040	0.187	4	111.6746	0.132	14	111.6746	0.132	14	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<3>,3|H<1>}	110.5690	0.000	1	111.6746	0.132	14	111.6746	0.132	14	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	111.7844	0.188	9	111.6746	0.132	14	111.6746	0.132	14	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6]B[6])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6,6]C[6,6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6]B[6])(C[5a]C[5a,6]H)(H){1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]C[5a,6,6]C[6,6a])(C[5a]N[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	111.3720	0.000	1	111.3720	0.000	1	111.3720	0.000	1	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	108.6425	0.322	2	108.6425	0.104	2	108.6425	0.104	2	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	111.2095	0.508	2	111.2095	0.258	2	111.2095	0.258	2	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H){1|H<1>,1|S<4>,5|C<3>}	109.1060	0.000	1	109.1060	0.000	1	109.1060	0.000	1	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	109.1820	0.044	2	109.1820	0.002	2	109.1820	0.002	2	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H){1|H<1>,1|N<3>,3|C<4>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Br){1|B<4>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	108.9540	0.000	1	108.9540	0.000	1	109.6976	0.241	5	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	109.8835	0.302	4	109.8835	0.091	4	109.6976	0.241	5	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	110.2610	0.000	1	110.2610	0.000	1	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	110.2380	0.000	1	110.2380	0.000	1	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<4>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	109.8350	0.000	1	109.8350	0.000	1	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	110.5340	0.079	2	110.5340	0.006	2	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	110.9260	0.249	2	110.9260	0.062	2	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	110.4286	0.319	28	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	110.3389	0.427	21	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	110.3003	0.150	6	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	110.0705	0.251	29	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	110.4925	0.636	20	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	110.3885	0.597	20	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	110.2863	0.107	3	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	110.1037	0.451	3	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	110.3490	0.403	187	110.3376	0.179	317	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	109.6690	0.000	1	109.6690	0.000	1	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	110.2820	0.000	1	110.2820	0.000	1	110.3381	0.178	326	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	108.5260	0.000	1	108.5260	0.000	1	108.4048	0.020	5	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	108.3745	0.141	4	108.3745	0.020	4	108.4048	0.020	5	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(I)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(I){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	109.3070	0.405	4	109.1898	0.192	5	109.1898	0.192	5	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(I)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(I){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	108.7210	0.000	1	109.1898	0.192	5	109.1898	0.192	5	110.3394	0.479	412	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:6:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:Ga[3x6]-6:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Ga[3x6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]Ga[3x6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,5|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|Ga<6>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	111.7241	0.417	12	111.7241	0.174	12	111.7241	0.174	12	111.7088	0.159	22	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:6:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,5|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|In<6>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	111.6905	0.398	10	111.6905	0.158	10	111.6905	0.158	10	111.7088	0.159	22	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br)	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br){1|C<3>,1|C<4>}	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	107.5410	0.000	2	107.5410	0.000	2	107.9098	0.102	6	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br)	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br){1|C<3>,1|C<4>}	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	107.9730	0.000	1	107.9730	0.000	1	107.9098	0.102	6	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br){1|C<3>,1|C<4>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	108.3300	0.000	1	108.3300	0.000	1	107.9098	0.102	6	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br)	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(Br){1|C<3>,1|C<4>}	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	108.0370	0.154	2	108.0370	0.024	2	107.9098	0.102	6	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(H)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	109.7870	0.439	3	109.7870	0.193	3	109.7870	0.193	3	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	110.2852	0.444	4	110.2852	0.197	4	110.2852	0.197	4	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	110.2190	0.293	4	110.2190	0.086	4	110.2190	0.086	4	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	109.3430	0.000	1	109.3430	0.000	1	110.1853	0.498	7	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	110.3015	0.513	2	110.3015	0.263	2	110.1853	0.498	7	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	110.7605	0.568	2	110.7605	0.322	2	110.1853	0.498	7	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	109.9150	0.928	2	109.9150	0.861	2	110.1853	0.498	7	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	108.6210	0.290	3	108.6210	0.084	3	108.5494	0.055	5	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){1|C<3>,1|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	108.4420	0.119	2	108.4420	0.014	2	108.5494	0.055	5	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H){1|C<3>,1|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	112.1070	0.000	1	111.4117	0.367	3	111.4117	0.367	3	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6]H)(C[5a]N[5a,6]O)(H){2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	111.0640	0.098	2	111.4117	0.367	3	111.4117	0.367	3	109.5974	1.423	32	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:2:	3:6:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,5|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC){1|In<6>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,1|C<2>,1|H<1>}	111.8193	0.240	4	111.8193	0.058	4	111.8193	0.058	4	111.8193	0.058	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CCO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CCO){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	108.1270	0.000	1	108.1270	0.000	1	108.7535	0.927	4	108.7535	0.927	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]H)(COO){2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	109.5600	0.337	2	109.5600	0.113	2	108.7535	0.927	4	108.7535	0.927	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(COO)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(COO){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	107.7670	0.000	1	107.7670	0.000	1	108.7535	0.927	4	108.7535	0.927	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H)(COO)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]N[5a,6]H)(COO){2|H<1>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]H)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]H)(COO){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	110.2530	0.000	1	110.2530	0.000	1	110.2648	0.125	5	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]H)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]H)(COO){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	109.7840	0.000	1	109.7840	0.000	1	110.2648	0.125	5	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CCH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.7810	0.000	1	110.7810	0.000	1	110.2648	0.125	5	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC[5a]2){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.2770	0.000	1	110.2770	0.000	1	110.2648	0.125	5	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CHO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CHO){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.2290	0.000	1	110.2290	0.000	1	110.2648	0.125	5	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[5a]C[5a]2){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.3660	0.000	1	110.5430	0.063	2	110.5430	0.063	2	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.7200	0.000	1	110.5430	0.063	2	110.5430	0.063	2	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2){1|B<4>,2|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.3840	0.393	2	110.3840	0.155	2	110.3840	0.155	2	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.2290	0.434	2	111.2117	0.285	8	111.2117	0.285	8	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.0620	0.000	1	111.2117	0.285	8	111.2117	0.285	8	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.0390	0.580	4	111.2117	0.285	8	111.2117	0.285	8	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	112.0180	0.000	1	111.2117	0.285	8	111.2117	0.285	8	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|B<4>,1|C<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	111.2740	0.000	1	110.9190	0.252	2	110.9190	0.252	2	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|B<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	110.5640	0.000	1	110.9190	0.252	2	110.9190	0.252	2	110.6401	0.688	20	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]H)(CCHH)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]H)(CCHH){2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	107.0400	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Br){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Br)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	112.0955	0.302	2	112.0955	0.091	2	112.0955	0.091	2	112.0863	0.442	12	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	112.6837	0.103	3	112.4464	0.061	7	112.4464	0.061	7	112.0863	0.442	12	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(Cl){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]N[5a,6]Cl)(C[5a]C[5a,6]C)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	112.2685	0.129	4	112.4464	0.061	7	112.4464	0.061	7	112.0863	0.442	12	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	112.0863	0.442	12	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[5]C[5]2Fe)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[5]C[5]2Fe){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	112.0863	0.442	12	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Si)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(SiSiCC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Si)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(SiSiCC){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	112.0863	0.442	12	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:2:4:	3:3:3:	N[5a,6]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(OH)	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(OH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CH3){2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>}	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(SC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]S)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(SC){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]S)(H){2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	108.2390	0.106	2	108.2390	0.011	2	108.2390	0.011	2	108.2390	0.011	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	108.1580	0.074	2	108.1580	0.005	2	108.1580	0.005	2	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	109.5000	0.037	2	109.4928	0.006	4	109.4928	0.006	4	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.4855	0.129	2	109.4928	0.006	4	109.4928	0.006	4	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a])	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]O)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a]){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]O)(Cl){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	112.3400	1.616	2	112.3400	2.613	2	112.3400	2.613	2	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]O)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]O)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	111.2968	0.292	4	111.2968	0.085	4	111.2968	0.085	4	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a])	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]S)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a]){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]S)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	108.6025	0.535	2	108.6025	0.287	2	108.6315	0.566	4	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a])	C[5a](C[5a]C[5a,6]S)(C[5a]N[5a,6]S)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(SC[6a]){1|C<3>,1|N<3>,1|S<2>,2|F<1>}	C[5a](C[5a]C[5a,6]S)(C[5a]N[5a,6]S)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	108.6605	1.187	2	108.6605	1.410	2	108.6315	0.566	4	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a])	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]S)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a]){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]S)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	109.4160	0.515	3	109.4160	0.265	3	109.4160	0.265	3	109.8383	2.146	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:2:	3:3:4:	N[5a,6]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(OH)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	109.9827	0.031	3	110.1450	0.026	7	110.1450	0.026	7	110.1450	0.026	7	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:2:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	110.2668	0.071	4	110.1450	0.026	7	110.1450	0.026	7	110.1450	0.026	7	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	103.8180	0.000	1	103.8180	0.000	1	104.2253	0.129	3	104.3540	0.073	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	104.4290	0.099	2	104.4290	0.010	2	104.2253	0.129	3	104.3540	0.073	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	104.5470	0.000	1	104.5470	0.000	1	104.4827	0.003	3	104.3540	0.073	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	104.4505	0.015	2	104.4505	0.000	2	104.4827	0.003	3	104.3540	0.073	6	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	105.4100	0.000	1	105.4100	0.000	1	105.4100	0.000	1	104.8455	0.637	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O){1|H<1>,5|C<3>}	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1	104.8455	0.637	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	105.2205	0.425	2	105.2205	0.181	2	105.2736	0.164	7	105.2736	0.164	7	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,7|C<3>}	104.7050	0.000	1	104.7050	0.000	1	105.2736	0.164	7	105.2736	0.164	7	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|C<3>}	105.2827	0.164	3	105.2827	0.027	3	105.2736	0.164	7	105.2736	0.164	7	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	105.9210	0.000	1	105.9210	0.000	1	105.2736	0.164	7	105.2736	0.164	7	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	105.1800	0.000	1	105.1800	0.000	1	105.1327	0.010	3	105.1327	0.010	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:2:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,8|C<3>}	105.1090	0.130	2	105.1090	0.017	2	105.1327	0.010	3	105.1327	0.010	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]Re)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]Re)(C[5a]C[5a]C){2|H<1>,3|C<3>}	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	105.9320	0.107	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H){1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O){1|N<2>,2|H<1>,4|C<3>}	106.0820	0.000	1	106.0820	0.000	1	106.0820	0.000	1	105.9320	0.107	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H)	C[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H){1|C<3>,4|H<1>}	106.1580	0.000	1	106.1580	0.000	1	106.1580	0.000	1	105.9320	0.107	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5])(C[5a]C[5a,6]H)(H){1|B<4>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	108.4400	0.064	2	108.4400	0.004	2	108.4400	0.004	2	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	106.7230	0.434	3	106.7230	0.188	3	107.0143	0.448	6	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|N<3>,6|H<1>}	106.3860	0.000	1	106.3860	0.000	1	107.0143	0.448	6	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]C)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	107.5600	0.000	1	107.5600	0.000	1	107.0143	0.448	6	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6]S)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(COO){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a](C[5a]C[5a,6]S)(C[5a]N[5a,6]C)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<3>,3|H<1>}	107.9710	0.000	1	107.9710	0.000	1	107.0143	0.448	6	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[5a](C[5a]C[5a,6]C[6])(C[5a]N[5a,6]C[6])(Br)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6])(C[5a]N[5a,6]C[6])(Br){1|B<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6])(Br)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6])(Br){1|B<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	108.5650	0.000	1	108.5650	0.000	1	108.0167	0.255	3	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Br){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	107.7425	0.244	2	107.7425	0.060	2	108.0167	0.255	3	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(Cl){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	107.6351	0.253	8	107.6351	0.064	8	107.6351	0.064	8	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	109.4315	0.199	2	109.5088	0.199	6	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	109.5475	0.559	4	109.5088	0.199	6	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	109.4650	0.337	2	109.0271	0.113	14	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|B<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	108.9541	0.288	12	109.0271	0.113	14	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	109.1953	0.481	4	109.1953	0.231	4	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	109.3708	0.304	4	109.0970	0.108	9	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	108.8780	0.112	5	109.0970	0.108	9	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	107.7660	0.000	1	107.7660	0.000	1	109.1133	0.210	34	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(H){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	106.3980	0.000	1	106.3980	0.000	1	106.8760	0.457	2	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]S)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]S)(H){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|S<4>,3|H<1>,4|C<3>}	107.3540	0.000	1	107.3540	0.000	1	106.8760	0.457	2	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[5a]C[5a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	110.1405	0.462	2	110.1405	0.213	2	110.1405	0.213	2	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[6]C[6]2)	C[5a](C[5a]N[5a,6]N[6])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,2|F<1>,5|H<1>}	C[5a](C[5a]N[5a,6]N[6])(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,3|C<3>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	110.6745	0.193	2	110.6745	0.037	2	110.6745	0.037	2	108.6295	1.059	61	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	106.4560	0.724	2	106.4560	0.524	2	106.2493	0.390	3	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	105.8360	0.000	1	105.8360	0.000	1	106.2493	0.390	3	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.3407	0.729	11	108.3417	0.483	12	108.7913	0.600	32	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	108.3530	0.000	1	108.3417	0.483	12	108.7913	0.600	32	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	108.4818	0.570	9	108.4818	0.325	9	108.7913	0.600	32	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]C)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.3100	0.000	1	109.3100	0.000	1	108.7913	0.600	32	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.8845	0.019	2	109.8845	0.000	2	108.7913	0.600	32	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CHO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.4973	0.400	7	109.4973	0.160	7	108.7913	0.600	32	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(COO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.3230	0.000	1	109.3230	0.000	1	108.7913	0.600	32	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CHO){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<4>,2|O<2>,4|H<1>}	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]Br)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Br){2|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]Br)(Br){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]Cl){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(Cl){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	107.2225	0.026	2	107.2225	0.001	2	107.2225	0.001	2	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	109.2330	0.000	1	109.2330	0.000	1	108.6874	0.439	19	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	108.5712	0.593	8	108.3784	0.442	10	108.6874	0.439	19	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	107.6070	0.167	2	108.3784	0.442	10	108.6874	0.439	19	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]O)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]O)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.0370	0.000	1	110.0370	0.000	1	108.6874	0.439	19	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(H){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	109.0205	0.263	4	109.0205	0.069	4	108.6874	0.439	19	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|B<4>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	108.8215	0.076	2	108.8215	0.006	2	108.6874	0.439	19	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|B<4>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	108.2810	0.000	1	108.2810	0.000	1	108.6874	0.439	19	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|N<3>,1|P<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NCH)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]N)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NCH){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]N)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	107.7110	0.000	1	107.7110	0.000	1	108.1025	0.307	2	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NC[6a]H)	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]N)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NC[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]Br)(C[5a]N[5a,6]N)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|Br<1>,3|C<3>}	108.4940	0.000	1	108.4940	0.000	1	108.1025	0.307	2	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	108.8970	0.000	1	108.8970	0.000	1	109.8564	1.277	8	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	109.6148	0.431	4	109.6148	0.186	4	109.8564	1.277	8	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	109.5020	0.191	2	109.5020	0.036	2	109.8564	1.277	8	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NOO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	112.4910	0.000	1	112.4910	0.000	1	109.8564	1.277	8	108.6431	1.147	69	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	104.7980	0.349	2	104.7980	0.122	2	104.7980	0.122	2	108.6833	3.524	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(CHO){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	105.8740	0.000	1	105.8740	0.000	1	105.8740	0.000	1	108.6833	3.524	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(H)	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(H){1|B<4>,1|N<2>,1|S<2>,3|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]F)(C[5a,6]C[5a]N[6])(C[5a]C[5a]2){1|H<1>,1|S<2>,5|C<3>}	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	108.6833	3.524	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	110.5700	0.000	1	110.5700	0.000	1	107.9977	4.984	3	108.6833	3.524	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]H){1|B<4>,1|H<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	106.7115	0.204	2	106.7115	0.042	2	107.9977	4.984	3	108.6833	3.524	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	109.6670	0.375	12	109.6670	0.141	12	109.6670	0.141	12	108.6833	3.524	19	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(CC[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(CC[6]C){1|C<4>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|S<2>,3|H<1>,6|C<3>}	107.8430	0.000	1	107.8430	0.000	1	107.2680	0.661	2	107.2680	0.661	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(CHO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(CHO){1|C<4>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	106.6930	0.000	1	106.6930	0.000	1	107.2680	0.661	2	107.2680	0.661	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	108.1320	0.000	1	108.1320	0.000	1	107.6350	0.113	5	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	107.2680	0.000	1	107.2680	0.000	1	107.6350	0.113	5	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	107.6740	0.000	1	107.6740	0.000	1	107.6350	0.113	5	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(COO){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	107.5505	0.230	2	107.5505	0.053	2	107.6350	0.113	5	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){2|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(COO){1|C<4>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){2|C<4>,2|H<1>,5|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O){1|B<4>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(CCH)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(CCH){1|B<4>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(COO){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	106.6120	0.000	1	106.6120	0.000	1	106.6120	0.000	1	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2){1|B<4>,1|N<2>,2|N<3>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|N<2>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	110.2120	0.000	1	110.2120	0.000	1	110.2120	0.000	1	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO){1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,4|C<3>}	105.3490	0.000	1	105.3490	0.000	1	105.4657	0.014	4	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(NOO){1|C<4>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,5|C<3>}	105.5047	0.110	3	105.5047	0.012	3	105.4657	0.014	4	108.4358	16.139	16	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	107.8610	0.000	1	108.1322	0.067	5	108.1322	0.067	5	109.4714	26.027	8	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(COO){1|B<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	108.2000	0.242	4	108.1322	0.067	5	108.1322	0.067	5	109.4714	26.027	8	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(COO){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(COO){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,2|C<4>,4|H<1>}	106.5740	0.389	2	106.5740	0.151	2	106.5740	0.151	2	109.4714	26.027	8	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){1|B<4>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){1|B<4>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	121.9620	0.000	1	121.9620	0.000	1	121.9620	0.000	1	109.4714	26.027	8	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	110.2870	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	108.6590	0.000	1	108.9090	0.125	2	108.9090	0.125	2	109.1215	0.389	11	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CCH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	109.1590	0.000	1	108.9090	0.125	2	108.9090	0.125	2	109.1215	0.389	11	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.0727	0.653	8	109.0727	0.427	8	109.1687	0.456	9	109.1215	0.389	11	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]N[5a,6]C[5a])(C[5a]C[5a]C){1|B<4>,1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]C)(CH3){1|B<4>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.9360	0.000	1	109.9360	0.000	1	109.1687	0.456	9	109.1215	0.389	11	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]N)(CH3){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,2|C<4>,6|C<3>}	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:2:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:Ge[6]-2:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<2>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	108.6170	0.000	1	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	105.7130	0.000	1	105.7130	0.000	1	105.5805	0.035	2	105.5805	0.035	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH)	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	105.4480	0.000	1	105.4480	0.000	1	105.5805	0.035	2	105.5805	0.035	2	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	108.7200	0.000	1	108.7200	0.000	1	108.7200	0.000	1	107.5973	0.658	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	107.4375	0.127	2	107.2230	0.146	3	107.2230	0.146	3	107.5973	0.658	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	106.7940	0.000	1	107.2230	0.146	3	107.2230	0.146	3	107.5973	0.658	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(Br){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	107.7366	0.300	5	107.7366	0.090	5	107.7366	0.090	5	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	107.9348	0.347	6	107.9348	0.121	6	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	109.1280	0.000	1	109.0690	0.297	4	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.0493	0.666	3	109.0690	0.297	4	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	109.0250	0.000	1	109.0250	0.000	1	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]2H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.1335	0.087	2	109.1335	0.008	2	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.6080	0.000	1	109.6080	0.000	1	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	108.7650	0.000	1	108.7650	0.000	1	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	108.9850	0.027	2	108.9850	0.001	2	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.0413	0.366	3	108.8555	0.228	4	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.2980	0.000	1	108.8555	0.228	4	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|C<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	109.1315	0.032	2	109.5740	0.120	6	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,3|C<4>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	109.7952	0.067	4	109.5740	0.120	6	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	109.0910	0.106	2	109.0910	0.011	2	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	109.0215	0.350	206	109.0290	0.126	224	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	109.2263	0.391	14	109.0290	0.126	224	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	108.7258	0.254	4	109.0290	0.126	224	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	109.2275	0.196	4	108.9712	0.181	6	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	108.4585	0.029	2	108.9712	0.181	6	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.9990	0.366	20	108.9990	0.134	20	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.5890	0.031	2	108.5890	0.001	2	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	109.4330	0.000	1	109.4330	0.000	1	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	108.9860	0.000	1	109.2458	0.201	28	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	108.5730	0.000	1	109.2458	0.201	28	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	109.2816	0.442	26	109.2458	0.201	28	109.0334	0.166	310	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){2|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){2|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.4840	0.000	1	107.4840	0.000	1	107.4840	0.000	1	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:Ge[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6]PdS)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(Ge[6]N[5a,6]PdS)(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.7000	0.018	2	108.7000	0.000	2	108.7000	0.000	2	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:I-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	108.3458	0.297	13	108.4042	0.101	15	108.4042	0.101	15	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:I-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(I){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	108.7835	0.151	2	108.4042	0.101	15	108.4042	0.101	15	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:N-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NC3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NC3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]N)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]S)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]S)(H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|H<1>,3|C<3>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	108.9905	0.229	335	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	109.2975	0.115	2	109.4328	0.044	6	109.4328	0.044	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	109.5005	0.223	4	109.4328	0.044	6	109.4328	0.044	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	109.4467	0.434	6	109.4467	0.188	6	109.4467	0.188	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	109.2545	0.291	2	109.4543	0.069	6	109.4543	0.069	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]B[6,6a]C[5a,6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	109.5542	0.216	4	109.4543	0.069	6	109.4543	0.069	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	109.4060	0.279	2	109.4060	0.078	2	109.1612	0.201	4	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	108.9165	0.534	2	108.9165	0.285	2	109.1612	0.201	4	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](Ge[6]N[5a,6]AgCl)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Ag<3>,1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	N[5a,6](Ge[6]N[5a,6]AgCl)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.9210	0.157	2	108.9210	0.025	2	108.5187	0.154	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](Ge[6]N[5a,6]ClCu)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Cl<1>,1|Cu<4>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	N[5a,6](Ge[6]N[5a,6]ClCu)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.2885	0.448	2	108.2885	0.200	2	108.5187	0.154	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	Ge[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](Ge[6]N[5a,6]ClPd)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Ge[6])(C[5a]C[5a]H)(CHHP){1|Cl<1>,1|Pd<4>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|Ge<4>,1|C<4>}	N[5a,6](Ge[6]N[5a,6]ClPd)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	108.3465	0.233	2	108.3465	0.054	2	108.5187	0.154	6	109.2057	0.250	28	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	109.0652	0.667	11	109.0523	0.371	13	109.0337	0.322	15	108.8453	0.586	18	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	108.9815	0.049	2	109.0523	0.371	13	109.0337	0.322	15	108.8453	0.586	18	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	108.9130	0.136	2	108.9130	0.018	2	109.0337	0.322	15	108.8453	0.586	18	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]S)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	107.6980	1.418	2	107.6980	2.012	2	107.6980	2.012	2	108.8453	0.586	18	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:Se-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Se)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SeC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Se)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SeC[6a]){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.3130	0.000	1	108.3130	0.000	1	108.3130	0.000	1	108.8453	0.586	18	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	108.8890	0.122	2	108.8890	0.015	2	108.8890	0.015	2	108.4562	0.557	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(CCO)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(CCO){2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	108.4562	0.557	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	108.4562	0.557	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	109.3997	0.406	6	109.3739	0.142	7	109.0848	0.141	21	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	109.2190	0.000	1	109.3739	0.142	7	109.0848	0.141	21	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHN)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHN){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	108.8470	0.085	2	108.8470	0.007	2	109.0848	0.141	21	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CHO){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	109.0897	0.185	9	109.0897	0.034	9	109.0848	0.141	21	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	108.5580	0.000	1	108.5540	0.070	3	109.0848	0.141	21	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(COO){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	108.5520	0.375	2	108.5540	0.070	3	109.0848	0.141	21	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	109.6880	0.000	1	109.6880	0.000	1	109.6880	0.000	1	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,1|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	109.1100	0.137	2	109.3019	0.057	9	109.2708	0.066	11	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	109.3870	0.000	1	109.3019	0.057	9	109.2708	0.066	11	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	109.3517	0.260	6	109.3019	0.057	9	109.2708	0.066	11	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.1310	0.400	2	109.1310	0.160	2	109.2708	0.066	11	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	108.8460	0.018	2	108.8460	0.000	2	108.1423	1.486	3	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NOO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NOO){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	106.7350	0.000	1	106.7350	0.000	1	108.1423	1.486	3	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6]C)(C[5a]N[5a,6]C){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.0850	0.268	38	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	108.6077	3.728	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[4,6]C[5a])(C[5a]C[5a]C)(B[6]O[6]FF){2|C<3>,2|C<4>}	110.0810	0.000	1	110.0810	0.000	1	110.0810	0.000	1	108.6077	3.728	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]OO)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(CH3){2|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(SC[6a]OO){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	108.6077	3.728	3	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC[5a]HH){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	110.5710	0.000	1	110.5710	0.000	1	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.4960	0.000	1	109.8175	0.207	2	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	110.1390	0.000	1	109.8175	0.207	2	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|C<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	109.5380	0.065	2	109.5380	0.004	2	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	109.9445	0.521	10	109.8189	0.178	70	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Pt<4>,2|C<3>,2|C<4>}	109.2870	0.047	2	109.8189	0.178	70	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	109.2433	0.368	3	109.8189	0.178	70	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	109.8468	0.381	55	109.8189	0.178	70	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	109.6865	0.112	2	109.6865	0.013	2	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.4425	0.033	2	109.4425	0.001	2	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	110.2560	0.000	1	110.2560	0.000	1	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	110.1540	0.204	2	110.1540	0.041	2	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	109.7290	0.000	1	109.7290	0.000	1	109.8212	0.171	83	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:Si[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,3|C<4>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<4>,3|C<3>}	108.8795	0.148	2	108.8795	0.022	2	108.8795	0.022	2	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	3:4:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6])(CH3)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6])(CH3){1|C<3>,3|H<1>,4|C<4>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	109.7772	0.227	86	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	109.9540	0.241	4	109.9540	0.058	4	109.9540	0.058	4	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	109.8415	0.018	2	109.8415	0.000	2	109.8415	0.000	2	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	110.0860	0.000	1	110.0860	0.000	1	109.9723	0.084	3	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	110.1890	0.000	1	110.1890	0.000	1	109.9723	0.084	3	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	109.6420	0.000	1	109.6420	0.000	1	109.9723	0.084	3	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	110.0370	0.000	1	110.0244	0.074	11	109.8197	0.132	19	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	110.1908	0.140	6	110.0244	0.074	11	109.8197	0.132	19	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	109.7715	0.271	4	110.0244	0.074	11	109.8197	0.132	19	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	109.7725	0.105	2	109.6663	0.026	6	109.8197	0.132	19	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	109.6132	0.167	4	109.6663	0.026	6	109.8197	0.132	19	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<4>,2|N<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|B<4>,1|C<4>}	N[5a,6](B[6]N[5a,6]N[6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,4|C<3>}	109.1545	0.131	2	109.1545	0.017	2	109.8197	0.132	19	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	Si[4,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Si[4,6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Si[4,6])(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,3|C<4>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<3>,3|C<4>,4|H<1>}	108.8723	0.372	10	108.8723	0.138	10	108.8723	0.138	10	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:3:4:	3:3:4:	4:3:3:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	Si[6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH)	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]Si[6])(C[5a]C[5a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CCHH){1|Si<4>,1|C<3>}	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	108.8625	0.057	2	108.8625	0.003	2	108.8625	0.003	2	109.5610	0.314	40	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6]	3:4:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[3x6]C[6,6]3)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[3x6])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[3x6]C[6,6]3)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,3|C<4>,7|H<1>}	C[5a](C[5a]N[5a,6]C[3x6])(C[5a]C[5a,6]H)(H){1|B<4>,1|C<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	108.7245	0.148	4	108.7245	0.022	4	108.7245	0.022	4	108.7245	0.022	4	109.3631	2.185	1422	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H)	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H){2|B<4>}	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	107.5960	0.000	1	107.5960	0.000	1	107.2480	0.242	2	107.2480	0.242	2	107.2480	0.242	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H){2|B<4>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	106.9000	0.000	1	106.9000	0.000	1	107.2480	0.242	2	107.2480	0.242	2	107.2480	0.242	2	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	104.9300	0.000	1	104.9300	0.000	1	104.9300	0.000	1	104.9300	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|N<2>,3|H<1>}	106.6920	0.000	1	106.6920	0.000	1	106.6920	0.000	1	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	104.8186	0.141	10	104.8186	0.020	10	104.8186	0.020	10	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>}	105.5800	0.000	1	105.5800	0.000	1	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	105.0550	0.206	2	104.9813	0.028	4	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	104.9075	0.144	2	104.9813	0.028	4	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>}	105.2030	0.262	2	105.2030	0.068	2	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	105.5350	0.259	3	105.3011	0.535	8	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	104.9725	1.686	2	105.3011	0.535	8	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	105.0360	0.085	2	105.3011	0.535	8	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.7870	0.000	1	105.3011	0.535	8	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	104.5460	0.000	1	105.1985	0.852	2	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	105.8510	0.000	1	105.1985	0.852	2	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,2|H<1>}	104.9995	0.291	2	104.9995	0.084	2	105.1956	0.296	19	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	105.1260	0.000	1	105.1260	0.000	1	105.1260	0.000	1	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<2>,1|O<1>}	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	105.3576	2.096	32	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>}	105.4620	0.000	1	105.4620	0.000	1	105.4620	0.000	1	105.4620	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl)	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(Cl){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	106.8590	0.000	1	106.8590	0.000	1	106.8590	0.000	1	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	106.2350	0.000	1	106.2350	0.000	1	105.6053	0.330	3	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	105.2905	0.257	2	105.2905	0.066	2	105.6053	0.330	3	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	105.9340	0.000	1	105.9340	0.000	1	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	105.9610	0.000	1	105.9610	0.000	1	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	105.5850	0.377	3	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	106.2406	0.354	5	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.4565	0.180	2	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){4|C<3>}	106.3480	0.000	1	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	106.2380	0.072	2	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	106.5590	0.000	1	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	105.5030	0.000	1	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.8060	0.000	1	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	106.4690	0.577	2	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	106.0410	0.297	2	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	106.1072	0.251	4	106.0005	0.241	24	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	105.0385	0.056	4	105.0385	0.003	4	105.8687	0.301	30	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	106.0485	0.161	4	106.0485	0.026	4	106.0485	0.026	4	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]I)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	105.4875	0.367	2	105.4875	0.135	2	105.4875	0.135	2	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(O)	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	102.5975	0.469	2	102.5975	0.220	2	102.5975	0.220	2	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O)	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[6a]N[5a])(O){5|C<3>}	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|C<4>,1|H<1>,4|C<3>}	102.5670	0.000	1	102.5670	0.000	1	102.5670	0.000	1	105.6434	0.989	43	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,3|C<3>}	106.6190	0.000	1	106.6190	0.000	1	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CC3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>}	105.9180	0.000	1	105.9180	0.000	1	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	105.7700	0.000	1	105.7700	0.000	1	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	105.9510	0.000	1	105.8923	0.064	3	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.6150	0.000	1	105.8923	0.064	3	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	106.1110	0.000	1	105.8923	0.064	3	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHN){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	107.0960	0.000	1	107.0960	0.000	1	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CHHO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	105.7010	0.000	1	105.7010	0.000	1	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a])(CSeHH){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	106.1313	0.248	3	106.1313	0.061	3	106.1068	0.195	11	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|N<2>,1|O<1>}	C[5a](C[5a]N[5a,6a]H)(S[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>}	113.4640	0.000	1	113.4640	0.000	1	113.4640	0.000	1	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(O)	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(O){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>}	103.3310	0.000	1	103.3310	0.000	1	103.3310	0.000	1	106.4592	5.180	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	107.5593	0.051	3	107.5593	0.003	3	107.5593	0.003	3	107.5593	0.003	3	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br)	C[5a](C[5a]N[5a,6a]Br)(C[5a]C[5a,6a]H)(Br)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]Br)(C[5a]C[5a,6a]H)(Br){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	108.0760	0.300	4	108.0760	0.090	4	108.0760	0.090	4	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,3|H<1>}	109.6190	0.000	1	109.6190	0.000	1	109.1810	0.384	2	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]N)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>}	108.7430	0.000	1	108.7430	0.000	1	109.1810	0.384	2	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,4|C<3>}	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	108.6275	0.578	2	108.6275	0.334	2	108.2987	0.491	3	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	107.6410	0.000	1	107.6410	0.000	1	108.2987	0.491	3	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.8470	0.000	1	107.8470	0.000	1	107.7335	0.040	6	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.5220	0.000	1	107.5220	0.000	1	107.7335	0.040	6	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	107.7590	0.000	1	107.7837	0.067	3	107.7335	0.040	6	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	107.5390	0.000	1	107.7837	0.067	3	107.7335	0.040	6	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.0530	0.000	1	107.7837	0.067	3	107.7335	0.040	6	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	107.6810	0.000	1	107.6810	0.000	1	107.7335	0.040	6	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|C<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	108.0050	0.000	1	108.0050	0.000	1	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	107.6240	0.000	1	107.6240	0.000	1	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	108.1140	0.194	2	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	107.9370	0.124	2	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.3290	0.000	1	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	107.9762	0.187	5	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.8110	0.190	2	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	108.0010	0.000	1	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	107.6300	0.000	1	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	107.9785	0.130	4	108.0266	0.134	18	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|I<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]H)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|I<1>,1|N<2>,2|C<3>,3|H<1>}	108.2410	0.000	1	108.2410	0.000	1	108.0166	0.124	21	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H){2|C<3>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<3>,1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	108.3480	0.081	2	108.3480	0.006	2	108.3480	0.006	2	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	106.6155	0.064	2	106.6155	0.004	2	106.6155	0.004	2	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	105.8390	0.000	1	105.8390	0.000	1	105.8390	0.000	1	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|O<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	106.5875	0.004	2	106.5875	0.000	2	106.5875	0.000	2	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(I)	C[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]I)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]I)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:I-1:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|O<1>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	107.0010	0.327	2	107.0010	0.107	2	107.0010	0.107	2	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	104.6505	0.301	2	104.6505	0.090	2	104.1447	0.813	3	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	103.1330	0.000	1	103.1330	0.000	1	104.1447	0.813	3	107.6366	1.280	52	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<3>,1|B<4>,1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	107.7290	0.000	1	107.7290	0.000	1	108.1106	0.114	14	108.1106	0.114	14	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|B<4>,1|C<4>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	108.2020	0.000	1	108.2020	0.000	1	108.1106	0.114	14	108.1106	0.114	14	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|B<3>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	107.9500	0.000	1	107.8140	0.037	2	108.1106	0.114	14	108.1106	0.114	14	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|P<3>,2|N<3>,3|C<3>}	107.6780	0.000	1	107.8140	0.037	2	108.1106	0.114	14	108.1106	0.114	14	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	108.1500	0.241	7	108.1500	0.058	7	108.1106	0.114	14	108.1106	0.114	14	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|P<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	108.5140	0.000	1	108.5140	0.000	1	108.1106	0.114	14	108.1106	0.114	14	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|Ge<3>,1|B<4>}	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	108.2125	0.757	2	108.2125	0.574	2	108.1106	0.114	14	108.1106	0.114	14	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(SC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>}	107.2940	0.000	1	107.2940	0.000	1	107.2940	0.000	1	107.3440	0.005	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(SC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(SC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.3440	0.005	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(COO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(Cl)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(Cl){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.0570	0.000	1	110.0570	0.000	1	110.0570	0.000	1	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	C[5a](B[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](B[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	108.1850	0.000	1	108.1850	0.000	1	108.1850	0.000	1	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:B[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(B[5a]N[5a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(B[5a]N[5a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	109.0070	0.000	1	109.0070	0.000	1	109.0070	0.000	1	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(CCO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(CCO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	108.0770	0.000	1	108.0770	0.000	1	108.2120	0.106	4	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	108.2550	0.000	1	108.2550	0.000	1	108.2120	0.106	4	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(CCO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(CCO){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.6420	0.000	1	108.6420	0.000	1	108.2120	0.106	4	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(CC[6a]O){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	107.8740	0.000	1	107.8740	0.000	1	108.2120	0.106	4	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]H)(COO){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.9370	0.313	2	108.9370	0.098	2	108.9370	0.098	2	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	109.0705	0.456	2	109.0705	0.208	2	109.0705	0.208	2	108.6728	0.400	13	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.7727	0.106	3	104.7727	0.011	3	104.6571	0.175	7	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]){1|O<2>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	103.7840	0.000	1	103.7840	0.000	1	104.6571	0.175	7	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.9600	0.182	2	104.9600	0.033	2	104.6571	0.175	7	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	104.5780	0.000	1	104.5780	0.000	1	104.6571	0.175	7	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	107.2495	0.763	2	107.2495	0.582	2	107.2495	0.582	2	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	105.2627	0.345	3	105.0828	0.120	5	105.1638	0.080	12	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	104.7870	0.000	1	105.0828	0.120	5	105.1638	0.080	12	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.8390	0.000	1	105.0828	0.120	5	105.1638	0.080	12	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.3053	0.292	3	105.3053	0.085	3	105.1638	0.080	12	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	104.9420	0.000	1	104.9420	0.000	1	105.1638	0.080	12	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.2313	0.196	3	105.2313	0.038	3	105.1638	0.080	12	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:Se-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeC[5a])	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeC[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.2477	0.222	4	105.2477	0.049	4	105.3633	0.075	6	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:Se-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeSe)	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SeSe){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.5945	0.264	2	105.5945	0.070	2	105.3633	0.075	6	105.2313	0.519	27	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.6630	0.378	4	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a])	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]S)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]S)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	107.6630	0.378	4	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]S)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]S)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	107.7070	0.953	2	107.7070	0.909	2	107.7070	0.909	2	107.6630	0.378	4	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:S-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]S)(OC)	C[5a](C[5a]C[5a,6a]S)(C[5a]N[5a,6a]O)(SS)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]S)(OC){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]S)(C[5a]N[5a,6a]O)(SS){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.6125	0.149	2	107.6125	0.022	2	107.6125	0.022	2	108.2597	0.566	4	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){1|F<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	108.9070	0.011	2	108.9070	0.000	2	108.9070	0.000	2	108.2597	0.566	4	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	108.1570	0.000	1	108.1570	0.000	1	107.9835	0.060	2	107.9835	0.060	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	107.8100	0.000	1	107.8100	0.000	1	107.9835	0.060	2	107.9835	0.060	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	103.7710	0.000	1	103.7710	0.000	1	103.7710	0.000	1	103.7710	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	104.2640	0.000	1	103.9300	0.223	2	104.2323	0.988	6	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	103.5960	0.000	1	103.9300	0.223	2	104.2323	0.988	6	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	104.3920	0.000	1	104.3920	0.000	1	104.2323	0.988	6	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	104.2130	2.068	2	104.2130	4.275	2	104.2323	0.988	6	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	104.7160	0.000	1	104.7160	0.000	1	104.2323	0.988	6	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(Br){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	103.6175	0.974	2	103.6175	0.948	2	103.6175	0.948	2	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	105.0740	0.000	1	104.6720	0.181	3	104.4045	0.407	4	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	104.4710	0.345	2	104.6720	0.181	3	104.4045	0.407	4	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.6020	0.000	1	103.6020	0.000	1	104.4045	0.407	4	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(I){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|I<1>,2|H<1>,3|C<3>}	103.5208	0.633	4	103.5208	0.400	4	103.5208	0.400	4	104.0206	0.700	16	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:Se-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CHO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(SeC[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CHO){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(SeC[6a]){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,2|H<1>}	104.3660	0.000	1	104.3660	0.000	1	104.3660	0.000	1	104.1040	0.137	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CC){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	103.8420	0.000	1	103.8420	0.000	1	103.8420	0.000	1	104.1040	0.137	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	104.1320	0.000	1	104.0450	0.015	2	104.0450	0.015	2	104.0450	0.015	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	103.9580	0.000	1	104.0450	0.015	2	104.0450	0.015	2	104.0450	0.015	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]O){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	104.1540	0.000	1	104.1540	0.000	1	104.1540	0.000	1	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCN){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.3120	0.000	1	104.3120	0.000	1	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.1520	0.000	1	104.1520	0.000	1	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	105.1440	0.000	1	105.1440	0.000	1	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>}	103.5710	0.000	1	103.5710	0.000	1	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	104.8860	0.000	1	104.6565	0.082	4	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.5800	0.295	3	104.6565	0.082	4	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	104.8350	0.000	1	104.8350	0.000	1	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>}	104.2380	0.000	1	104.2380	0.000	1	104.4878	0.217	10	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(NC[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(NC[6a]H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	103.8970	0.000	1	103.8970	0.000	1	103.8970	0.000	1	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.5538	0.156	5	104.5538	0.024	5	104.5538	0.024	5	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){5|C<3>}	104.9935	0.088	2	104.9935	0.008	2	104.6945	0.110	11	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H){5|C<3>}	104.6710	0.257	2	104.6710	0.066	2	104.6945	0.110	11	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	104.5135	0.127	2	104.6159	0.134	7	104.6945	0.110	11	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	104.4020	0.088	2	104.6159	0.134	7	104.6945	0.110	11	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	104.8267	0.516	3	104.6159	0.134	7	104.6945	0.110	11	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	104.1540	0.000	1	104.1540	0.000	1	104.1540	0.000	1	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CCO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CCO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.4180	0.000	1	105.4180	0.000	1	105.4180	0.000	1	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){2|C<3>,2|H<1>}	104.8070	0.000	1	104.8070	0.000	1	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	104.1840	0.000	1	104.8203	0.449	4	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	104.5970	0.000	1	104.8203	0.449	4	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.2500	0.723	2	104.8203	0.449	4	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	104.5390	0.000	1	104.5390	0.000	1	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.3997	0.288	4	105.3997	0.083	4	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|O<2>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	105.8790	0.000	1	105.8790	0.000	1	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NOO)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NOO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	107.1380	0.000	1	107.1380	0.000	1	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NSS)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NSS){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.7860	0.485	2	105.7860	0.235	2	105.3439	0.598	14	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|Br<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N){2|C<3>,2|H<1>}	105.5040	0.000	1	105.5040	0.000	1	105.5040	0.000	1	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH)	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH){5|C<3>}	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,1|N<2>,4|C<3>}	105.6820	0.000	1	105.6820	0.000	1	105.6820	0.000	1	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	C[5a](C[5a]N[5a,6a]N[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	105.8670	0.000	1	105.8670	0.000	1	105.8670	0.000	1	104.8676	0.450	47	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	104.3023	0.252	3	104.3023	0.063	3	104.3023	0.063	3	104.4317	0.109	4	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a])(CH3){2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	104.8200	0.000	1	104.8200	0.000	1	104.8200	0.000	1	104.4317	0.109	4	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Re)(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Re)(C[5a]C[5a]C){2|H<1>,3|C<3>}	105.5980	0.000	1	105.5980	0.000	1	104.8905	1.001	2	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	104.1830	0.000	1	104.1830	0.000	1	104.8905	1.001	2	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O){1|N<2>,2|H<1>,4|C<3>}	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O)	C[5a](C[5a]N[5a,6a]C[5])(N[5a]C[5a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]C[5])(N[5a]C[5a,6a]H)(O){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	106.5420	1.532	2	106.5420	2.346	2	106.5420	2.346	2	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	106.5235	0.194	2	106.5235	0.038	2	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]Br)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]Br)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|Br<1>,1|C<3>,2|H<1>}	107.7040	0.000	1	107.7040	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,3|H<1>}	106.6075	0.312	2	106.6075	0.097	2	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[3]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[3]O){1|C<2>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|H<1>}	106.8007	0.411	3	106.8007	0.169	3	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	107.0970	0.000	1	107.0970	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	106.7340	0.000	1	106.6137	0.245	4	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	106.5737	0.598	3	106.6137	0.245	4	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	107.0255	0.510	2	107.0255	0.260	2	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	106.5990	0.000	1	106.5990	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	105.7915	0.060	2	105.7915	0.004	2	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9700	0.000	1	105.9700	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	106.8240	0.000	1	106.8240	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN[5a]O){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	107.2615	0.631	2	107.2615	0.399	2	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.0680	0.000	1	107.0680	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	107.4690	0.000	1	107.4690	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.2180	0.000	1	107.2180	0.000	1	106.7690	0.296	25	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]Br)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]Br)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,3|C<3>,3|H<1>}	107.2520	0.000	1	107.2520	0.000	1	107.0742	0.142	5	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	106.8990	0.585	2	106.8990	0.343	2	107.0742	0.142	5	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]O)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]O)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	107.1605	0.344	2	107.1605	0.119	2	107.0742	0.142	5	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	105.7722	0.427	6	105.7722	0.182	6	105.4959	1.648	8	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	102.5700	0.000	1	102.5700	0.000	1	105.4959	1.648	8	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]C)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]C)(O){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.7640	0.000	1	106.7640	0.000	1	105.4959	1.648	8	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.1730	0.000	1	107.1730	0.000	1	107.0273	0.509	3	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	106.9545	0.993	2	106.9545	0.987	2	107.0273	0.509	3	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2){1|N<2>,3|H<1>,4|C<3>}	106.7330	0.130	2	106.7330	0.017	2	106.7330	0.017	2	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a]H)(O){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	106.8450	0.000	2	106.8450	0.000	2	106.8450	0.000	2	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	107.3900	0.000	1	107.3900	0.000	1	106.6683	0.174	9	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	106.2210	0.000	1	106.2210	0.000	1	106.6683	0.174	9	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.7740	0.204	2	106.7740	0.041	2	106.6683	0.174	9	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.4155	0.647	2	106.5712	0.139	5	106.6683	0.174	9	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.6750	0.169	3	106.5712	0.139	5	106.6683	0.174	9	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	107.4250	0.000	1	107.4250	0.000	1	107.4250	0.000	1	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(I){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]2)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]2){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]N)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	107.5350	0.000	1	107.5350	0.000	1	108.5150	1.921	2	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NOO)	C[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NOO){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]I)(C[5a]N[5a,6a]N)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	109.4950	0.000	1	109.4950	0.000	1	108.5150	1.921	2	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(N[6]C[6]2)	C[5a](C[5a]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(N[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	C[5a](C[5a]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(H){2|C<3>,2|C<4>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(H){6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.4830	0.000	1	107.4830	0.000	1	106.5618	0.314	5	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	106.3315	0.256	4	106.3315	0.065	4	106.5618	0.314	5	106.6188	0.817	70	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCH)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCH){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.3360	0.000	2	104.3360	0.000	2	104.3360	0.000	2	104.4360	0.030	3	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:N-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H){1|H<1>,4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]N)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.6360	0.000	1	104.6360	0.000	1	104.6360	0.000	1	104.4360	0.030	3	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(COO){3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C)(COO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C)(COO){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]N[5a,6a]C)(COO){2|C<4>,3|C<3>}	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[3]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[3]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	106.5270	0.000	1	106.5270	0.000	1	106.5437	0.635	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9762	0.293	5	105.9762	0.086	5	106.5437	0.635	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.2940	0.000	1	106.7980	0.508	2	106.5437	0.635	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.3020	0.000	1	106.7980	0.508	2	106.5437	0.635	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	108.1470	0.000	1	108.1470	0.000	1	106.5437	0.635	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]S)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	107.2860	0.000	1	107.2860	0.000	1	106.5437	0.635	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CC[6a]O){4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(COO){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	107.8100	0.000	1	107.8100	0.000	1	108.1715	0.261	2	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(COO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	108.5330	0.000	1	108.5330	0.000	1	108.1715	0.261	2	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.3410	0.337	2	107.3410	0.113	2	106.7781	0.679	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.6825	0.317	2	105.6825	0.101	2	106.7781	0.679	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCH){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.0130	0.000	1	107.0130	0.000	1	106.7781	0.679	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.2085	0.760	2	106.2085	0.578	2	106.7781	0.679	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.8710	0.000	1	107.8710	0.000	1	106.7781	0.679	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	107.1780	0.000	1	107.1780	0.000	1	106.7781	0.679	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHN)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHN){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	107.2550	0.000	1	107.2550	0.000	1	106.7781	0.679	10	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){1|O<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C){1|N<3>,1|O<1>,3|C<3>}	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(COO)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(COO){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C){6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	107.2590	0.000	1	107.2590	0.000	1	107.2997	0.048	3	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	107.1040	0.000	1	107.3200	0.093	2	107.2997	0.048	3	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	107.5360	0.000	1	107.3200	0.093	2	107.2997	0.048	3	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	107.2910	0.000	1	107.2910	0.000	1	107.2923	0.079	3	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	107.2930	0.397	2	107.2930	0.158	2	107.2923	0.079	3	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){2|N<3>,7|C<3>}	108.0560	0.413	2	108.0560	0.171	2	108.0560	0.171	2	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	107.0850	0.000	1	107.0850	0.000	1	107.1630	0.012	2	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(CC[6a]O){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	107.2410	0.000	1	107.2410	0.000	1	107.1630	0.012	2	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	106.7070	0.000	1	106.7070	0.000	1	106.7070	0.000	1	107.1405	0.788	37	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,2|N<3>,7|C<3>}	107.2290	0.000	1	107.2290	0.000	1	107.4363	0.034	3	107.4363	0.034	3	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<4>,1|F<1>,1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	107.5400	0.052	2	107.5400	0.003	2	107.4363	0.034	3	107.4363	0.034	3	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	106.6010	0.000	1	106.6010	0.000	1	106.9337	0.308	3	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CH3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.6260	0.000	1	106.6260	0.000	1	106.9337	0.308	3	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){4|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CF3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,5|C<3>}	107.5740	0.000	1	107.5740	0.000	1	106.9337	0.308	3	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CCC)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(PC[6a]3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CCC){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(PC[6a]3){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	105.9555	0.127	2	105.9555	0.016	2	105.9555	0.016	2	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	107.5735	0.306	2	107.7957	0.195	3	107.7005	0.166	4	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	108.2400	0.000	1	107.7957	0.195	3	107.7005	0.166	4	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	107.4150	0.000	1	107.4150	0.000	1	107.7005	0.166	4	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCCH){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	107.1117	0.614	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:3:	3:4:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5]-4:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	103.6610	0.000	1	103.6610	0.000	1	103.6610	0.000	1	103.6610	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	104.3520	0.000	1	104.3520	0.000	1	104.3520	0.000	1	103.4325	1.691	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O)	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	102.5130	0.000	1	102.5130	0.000	1	102.5130	0.000	1	103.4325	1.691	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(COO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	104.2900	0.273	2	104.2900	0.074	2	104.2900	0.074	2	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.3130	0.000	1	105.3130	0.000	1	104.9623	0.579	6	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HN){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.8820	0.000	1	104.8820	0.000	1	104.9623	0.579	6	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHN){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	103.9760	0.000	1	103.9760	0.000	1	104.9623	0.579	6	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.9120	0.000	1	104.9120	0.000	1	104.9623	0.579	6	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHS){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	106.2110	0.000	1	106.2110	0.000	1	104.9623	0.579	6	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN[6]HH){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	104.4800	0.000	1	104.4800	0.000	1	104.9623	0.579	6	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CHHN){1|N<2>,4|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	104.7775	0.337	4	104.7775	0.114	4	104.7775	0.114	4	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	105.6855	0.095	2	105.6855	0.009	2	105.6855	0.009	2	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:N[5a]-2:S-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SNOO)	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(SCO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SNOO){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]S)(N[5a]C[5a,6a])(SCO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>}	104.9140	0.000	1	104.9140	0.000	1	104.9140	0.000	1	104.9166	0.384	15	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]N[5a,6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	106.2450	0.000	1	106.2450	0.000	1	106.2450	0.000	1	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	106.9790	0.000	1	106.9790	0.000	1	107.0085	0.002	2	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	107.0380	0.000	1	107.0380	0.000	1	107.0085	0.002	2	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C)(C[5a]N[5a,6a]O)(H){2|C<3>}	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	108.3790	0.448	2	108.3790	0.201	2	108.3790	0.201	2	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	107.0910	0.158	2	107.0910	0.025	2	107.0590	0.016	3	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H){2|C<3>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	106.9950	0.000	1	106.9950	0.000	1	107.0590	0.016	3	107.6126	1.215	10	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	104.4380	0.000	1	104.4380	0.000	1	104.4380	0.000	1	104.4380	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CCO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(CCO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	106.8520	0.000	1	106.8520	0.000	1	107.1190	0.143	2	107.5492	0.199	5	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CCO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CCO){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.3860	0.000	1	107.3860	0.000	1	107.1190	0.143	2	107.5492	0.199	5	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CF3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(COO){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	107.5492	0.199	5	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]N[6]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.9890	0.000	1	107.9890	0.000	1	107.8745	0.026	2	107.5492	0.199	5	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CHHN){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.7600	0.000	1	107.7600	0.000	1	107.8745	0.026	2	107.5492	0.199	5	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:4:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	C[5a](C[5a]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	105.0800	1.362	2	105.0800	1.855	2	105.0800	1.855	2	105.0800	1.855	2	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a,6a]	3:4:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]C)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	106.9290	0.000	1	106.2759	2.450	448	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:1:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.7730	0.000	1	119.7730	0.000	1	119.7730	0.000	1	119.7730	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.2052	0.122	5	123.2052	0.122	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.4860	0.127	2	123.4860	0.016	2	123.2052	0.122	5	123.2052	0.122	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.6490	0.000	1	122.6490	0.000	1	123.2052	0.122	5	123.2052	0.122	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:2:3:	3:2:3:	3:3:4:	N[5a]-3:N[5a]-2:C[5a]-3:	N[5a]-3:N[5a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	123.1570	0.000	1	123.1570	0.000	1	123.2052	0.122	5	123.2052	0.122	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:2:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|H<1>}	103.9140	0.184	2	103.9140	0.034	2	103.6167	0.282	3	103.6167	0.282	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:2:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	103.0220	0.000	1	103.0220	0.000	1	103.6167	0.282	3	103.6167	0.282	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O){1|H<1>}	104.7860	0.000	1	104.7860	0.000	1	104.7860	0.000	1	104.9050	0.028	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH){1|H<1>}	105.0240	0.000	1	105.0240	0.000	1	105.0240	0.000	1	104.9050	0.028	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH){1|H<1>}	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	105.0093	1.925	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|H<1>}	104.4280	0.000	1	104.4280	0.000	1	104.4280	0.000	1	105.0093	1.925	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(I){1|C<4>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|I<1>}	104.0070	0.000	1	104.0070	0.000	1	104.0070	0.000	1	105.0093	1.925	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	106.1984	0.239	14	106.1514	0.085	23	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	106.0784	0.363	9	106.1514	0.085	23	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>}	107.2440	2.029	29	107.2440	4.116	29	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	106.7030	1.051	3	106.1893	0.553	8	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	105.8810	0.314	5	106.1893	0.553	8	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>}	106.2865	1.502	8	106.2865	2.256	8	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>}	110.5380	0.000	1	108.0830	12.054	2	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|S<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>}	105.6280	0.000	1	108.0830	12.054	2	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	105.9607	1.259	31	105.9607	1.585	31	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	105.7662	0.072	10	105.9214	0.102	19	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	106.0939	0.400	9	105.9214	0.102	19	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	106.2676	0.476	7	106.3845	0.384	27	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	106.5314	0.708	16	106.3845	0.384	27	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	106.0018	0.173	4	106.3845	0.384	27	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	106.4660	1.028	2	106.1016	0.404	5	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	105.9280	0.000	1	106.1016	0.404	5	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	105.8240	0.330	2	106.1016	0.404	5	106.3665	1.647	152	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I){1|H<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H){1|H<1>}	109.2380	0.000	1	109.2380	0.000	1	110.1255	1.575	2	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I){1|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H){1|H<1>}	111.0130	0.000	1	111.0130	0.000	1	110.1255	1.575	2	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	C[5a](C[5a]N[5a]I)(N[5a]C[5a]H)(I){1|C<3>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|I<1>,2|C<3>}	105.7775	0.561	2	105.7775	0.314	2	105.7775	0.314	2	106.4072	1.802	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC){1|H<1>}	105.3920	0.000	1	105.3920	0.000	1	107.7397	8.392	3	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC){1|H<1>}	108.9135	2.918	2	108.9135	8.516	2	107.7397	8.392	3	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|H<1>}	104.5050	0.000	1	104.5050	0.000	1	105.0523	0.231	3	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH){1|H<1>}	105.3260	0.109	2	105.3260	0.012	2	105.0523	0.231	3	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|N<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	103.0125	0.019	2	103.0125	0.000	2	103.0125	0.000	2	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]S[5a]H)(N[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(NC)	C[5a](C[5a]S[5a]H)(N[5a]C[5a]N)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(H){1|N<2>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(NC){1|H<1>}	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	104.5110	0.000	1	104.5110	0.000	1	104.5110	0.000	1	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	103.0830	0.000	1	104.6497	0.463	13	104.6497	0.463	13	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<3>}	104.4750	1.041	2	104.6497	0.463	13	104.6497	0.463	13	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	104.5807	0.699	3	104.6497	0.463	13	104.6497	0.463	13	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	104.9530	0.230	7	104.6497	0.463	13	104.6497	0.463	13	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,2|N<3>,2|O<1>}	105.7440	0.000	1	105.7440	0.000	1	105.7440	0.000	1	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	107.5130	0.000	1	106.7028	0.383	9	106.7028	0.383	9	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	106.4140	0.000	1	106.7028	0.383	9	106.7028	0.383	9	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	106.2270	0.000	1	106.7028	0.383	9	106.7028	0.383	9	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	105.9090	0.000	1	106.7028	0.383	9	106.7028	0.383	9	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	106.4730	0.000	1	106.7028	0.383	9	106.7028	0.383	9	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	106.4290	0.000	1	106.7028	0.383	9	106.7028	0.383	9	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	107.1200	0.641	3	106.7028	0.383	9	106.7028	0.383	9	105.6295	3.134	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH){1|H<1>}	106.0537	0.697	3	106.0537	0.486	3	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|H<1>}	105.5620	0.000	1	105.5620	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN){1|H<1>}	105.3040	0.000	1	105.3040	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|H<1>}	106.0587	0.261	3	106.0587	0.068	3	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|H<1>}	105.4995	0.169	2	105.4995	0.029	2	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF){1|H<1>}	105.3590	0.000	1	105.3590	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN){1|H<1>}	105.8500	0.324	2	105.8500	0.105	2	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO){1|H<1>}	105.2480	0.335	2	105.2480	0.112	2	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C){1|H<1>}	105.3280	0.000	1	105.3280	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C){1|H<1>}	105.7650	0.079	2	105.7650	0.006	2	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|H<1>}	105.5300	0.177	2	105.5300	0.031	2	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN){1|H<1>}	105.9138	0.309	5	105.9138	0.095	5	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO){1|H<1>}	106.0930	0.000	1	106.0930	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C){1|H<1>}	107.7790	0.000	1	107.7790	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O){1|H<1>}	105.9830	0.000	1	105.9830	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|H<1>}	105.1520	0.392	4	105.1520	0.154	4	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS){1|H<1>}	105.6670	0.000	1	105.6670	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH){1|H<1>}	106.0950	0.480	3	106.0950	0.230	3	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CHH){1|H<1>}	107.0885	0.586	2	107.0885	0.344	2	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<2>,1|N<3>}	106.1790	0.000	1	106.1790	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,2|C<3>}	105.3050	0.000	1	105.3050	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCN)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Ir<8>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ir<8>,1|C<3>}	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCN){1|H<1>}	105.9070	0.000	1	105.9070	0.000	1	105.8348	0.371	41	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	106.5960	0.000	1	106.3175	0.155	2	106.1323	0.405	21	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	106.0390	0.000	1	106.3175	0.155	2	106.1323	0.405	21	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	105.1670	0.000	1	106.0906	0.382	17	106.1323	0.405	21	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	106.1484	0.589	16	106.0906	0.382	17	106.1323	0.405	21	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	107.2180	0.000	1	107.2180	0.000	1	106.1323	0.405	21	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,2|C<3>}	105.3840	0.000	1	105.3840	0.000	1	106.1323	0.405	21	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC){1|H<1>}	106.8010	0.000	1	107.4260	0.781	2	107.0530	0.808	3	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|P<3>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC){1|H<1>}	108.0510	0.000	1	107.4260	0.781	2	107.0530	0.808	3	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2){1|H<1>}	106.3070	0.000	1	106.3070	0.000	1	107.0530	0.808	3	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2){1|C<2>,1|C<3>,2|H<1>}	106.5920	0.000	1	106.5920	0.000	1	106.1345	0.419	2	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>}	105.6770	0.000	1	105.6770	0.000	1	106.1345	0.419	2	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|B<3>,1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	106.7790	0.000	1	106.7790	0.000	1	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	106.0020	0.000	1	106.4431	0.151	10	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	106.4921	0.378	9	106.4431	0.151	10	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<2>,3|H<1>}	105.8937	0.610	4	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<3>,3|H<1>}	106.1285	0.336	2	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	107.2863	1.686	3	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	105.8950	0.000	1	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	105.1230	0.000	1	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	106.2042	0.676	5	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	106.8852	1.835	55	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>}	106.0060	0.000	1	106.7281	2.838	72	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,2|C<3>}	105.7880	0.000	1	105.3066	0.107	9	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	105.2464	0.291	8	105.3066	0.107	9	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	106.7930	0.000	1	106.4530	0.316	18	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	105.9320	0.000	1	106.4530	0.316	18	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	105.9484	0.207	5	106.4530	0.316	18	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	106.4660	0.000	1	106.4530	0.316	18	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	106.4447	0.459	3	106.4530	0.316	18	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	107.3515	0.790	2	106.4530	0.316	18	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	106.6368	0.422	5	106.4530	0.316	18	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|S<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	107.0380	0.000	1	106.3330	0.413	3	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,3|H<1>}	105.9805	0.285	2	106.3330	0.413	3	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Se<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Se<2>,1|C<3>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	106.1755	0.022	2	106.1755	0.000	2	106.5295	1.989	115	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Ni<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ni<4>,1|C<3>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	107.3930	0.000	1	107.3930	0.000	1	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>,2|C<3>}	105.8710	0.000	1	105.8710	0.000	1	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	105.7560	0.000	1	105.7560	0.000	1	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	105.8367	0.472	8	105.8367	0.223	8	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,4|C<3>}	105.7865	0.646	2	105.7865	0.417	2	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	106.0910	0.689	2	106.0910	0.474	2	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	105.6645	0.185	2	105.9015	0.120	4	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	106.1385	0.317	2	105.9015	0.120	4	105.9513	0.286	19	106.3029	1.386	202	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br){1|Br<1>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CCHH){1|Br<1>}	107.1553	0.865	3	107.1553	0.748	3	106.4143	0.745	7	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br){1|Br<1>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(CH3){1|Br<1>}	105.8810	0.035	2	105.8810	0.001	2	106.4143	0.745	7	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a]C)(Br){1|H<1>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(Br){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3){1|Br<1>}	105.8360	0.300	2	105.8360	0.090	2	106.4143	0.745	7	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|H<1>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH){1|Cl<1>}	106.0250	0.887	2	106.0250	0.786	2	105.6817	0.747	3	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(Cl){1|Rh<8>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(Cl){1|Rh<8>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Rh)(CN[5]HH){1|Cl<1>}	104.9950	0.000	1	104.9950	0.000	1	105.6817	0.747	3	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	105.2140	0.000	1	105.2140	0.000	1	105.2140	0.000	1	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	107.4375	0.077	2	107.4375	0.006	2	107.4375	0.006	2	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3){1|C<3>,1|H<1>,1|N<2>}	106.4260	0.000	1	106.4260	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	105.9477	0.235	3	105.9477	0.055	3	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	107.0967	0.417	3	107.0967	0.174	3	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	107.0510	0.000	1	107.0690	1.574	5	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	107.0735	1.448	4	107.0690	1.574	5	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	106.5660	0.000	1	106.1277	0.195	3	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	105.9085	0.320	2	106.1277	0.195	3	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	106.3173	0.752	12	106.5234	0.349	82	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	106.6218	0.558	47	106.5234	0.349	82	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	106.4299	0.545	23	106.5234	0.349	82	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	107.0838	1.843	5	107.0838	3.398	5	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	106.4881	1.673	93	106.4881	2.798	93	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	105.9290	0.000	1	105.9290	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH){1|H<1>}	105.9010	0.192	2	105.9010	0.037	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	105.8793	0.808	6	105.8793	0.653	6	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	105.8990	0.369	6	105.8990	0.136	6	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	106.4483	0.225	3	106.4483	0.051	3	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	106.3425	0.310	2	106.3425	0.096	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	106.2140	0.000	1	106.2140	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	106.3073	0.690	69	106.3073	0.476	69	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|H<1>}	108.0274	3.015	8	108.0274	9.091	8	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	105.6285	0.019	2	105.6285	0.000	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	105.9720	0.000	1	105.9720	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	105.7110	0.000	1	105.7110	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|I<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|I<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	106.7670	0.403	2	106.7670	0.162	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	105.0220	0.000	1	106.4909	0.500	8	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	106.7007	0.416	7	106.4909	0.500	8	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|H<1>}	105.9740	0.000	1	105.9740	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	107.2377	0.155	3	107.2377	0.024	3	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH){1|H<1>}	106.3920	0.000	1	106.3920	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|H<1>}	106.3585	0.056	2	106.3585	0.003	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	106.1045	0.200	2	106.1024	0.168	10	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	106.1019	0.459	8	106.1024	0.168	10	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|H<1>}	106.9580	0.017	2	106.9580	0.000	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH){1|H<1>}	106.3180	0.000	1	106.3180	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	106.5159	0.923	10	106.5159	0.853	10	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	106.3575	0.296	15	106.3575	0.088	15	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	105.9677	0.360	3	105.9677	0.130	3	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	106.3293	0.439	40	106.3293	0.193	40	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	106.5590	0.000	1	107.6602	0.545	4	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	108.0273	0.092	3	107.6602	0.545	4	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	105.9792	0.316	5	105.9792	0.100	5	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	106.2930	0.000	1	106.2930	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	106.9713	1.549	3	106.6822	1.366	5	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	106.2485	0.193	2	106.6822	1.366	5	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	105.9575	0.378	2	105.9575	0.143	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Br<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Br<1>,1|C<4>}	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3){1|H<1>}	106.2615	0.066	2	106.2615	0.004	2	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Pt<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Pt<4>,1|C<4>}	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH){1|H<1>}	105.5350	0.000	1	105.5350	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Ru<5>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Ru<5>,1|C<4>}	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH){1|H<1>}	106.4640	0.000	1	106.4640	0.000	1	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Se<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Se<1>,1|C<4>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	108.0490	0.000	1	107.3928	0.843	4	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Se<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|Se<2>,1|C<4>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	107.1740	0.989	3	107.3928	0.843	4	106.4605	1.173	420	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2Pd)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2Pd){1|H<1>}	105.6985	0.077	2	105.6985	0.006	2	106.7203	0.770	6	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]PdC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]PdC){1|H<1>}	106.9680	0.000	1	106.9680	0.000	1	106.7203	0.770	6	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){2|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC){1|H<1>}	107.3190	0.556	3	107.3190	0.309	3	106.7203	0.770	6	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO){1|H<1>}	104.8840	0.000	1	104.8840	0.000	1	105.1365	0.108	4	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO){1|H<1>}	105.4140	0.000	1	105.4140	0.000	1	105.1365	0.108	4	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO){1|H<1>}	105.1240	0.429	2	105.1240	0.184	2	105.1365	0.108	4	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	105.1240	0.000	1	105.1240	0.000	1	105.1680	0.138	3	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H){1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(I){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|I<1>}	105.1900	0.522	2	105.1900	0.272	2	105.1680	0.138	3	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH)	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H){1|O<1>}	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH){1|H<1>}	114.5250	0.000	1	114.5250	0.000	1	114.5250	0.000	1	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(I)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)(SNOO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(I){1|S<2>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(H){1|S<2>,1|S<4>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)(SNOO){1|H<1>}	106.2600	0.267	4	106.2600	0.071	4	106.2600	0.071	4	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3)	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(I){1|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]C[5a])(I){1|C<4>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3){1|I<1>}	106.0087	0.574	3	106.0087	0.329	3	106.0087	0.329	3	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P[6]-4:	C[5a](N[5a]C[5a]P[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O)	C[5a](N[5a]C[5a]P[6])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|P<4>}	106.1718	0.839	4	106.1718	0.704	4	106.1718	0.704	4	106.4499	1.288	458	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	B-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|B<4>,1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	107.3655	0.328	8	107.3655	0.107	8	107.3655	0.107	8	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	105.7780	0.235	2	105.7780	0.055	2	107.5843	9.816	3	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	111.1970	0.000	1	111.1970	0.000	1	107.5843	9.816	3	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:F-1:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(F)	C[5a](C[5a]N[5a]F)(N[5a]C[5a])(H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(F){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]F)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H){1|O<2>,2|C<4>,2|H<1>}	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[3,5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[3,5]C[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[3,5]C[5a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,4|C<4>}	105.5350	0.000	1	105.5350	0.000	1	105.5350	0.000	1	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[3]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	105.5370	0.000	1	105.5370	0.000	1	105.5370	0.000	1	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,2|O<2>,4|H<1>}	106.0122	0.495	4	106.0122	0.245	4	105.9597	0.154	6	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	105.8040	0.000	1	105.8040	0.000	1	105.9597	0.154	6	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	105.9050	0.000	1	105.9050	0.000	1	105.9597	0.154	6	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	106.6660	0.000	1	106.6660	0.000	1	106.2653	0.198	3	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.0650	0.393	2	106.0650	0.155	2	106.2653	0.198	3	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	105.2835	0.073	2	105.2835	0.005	2	105.2835	0.005	2	106.6640	1.755	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:1:	5:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	P[5]-5:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]P[5])(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]P[5])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,3|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>,1|P<5>}	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	107.2845	1.623	2	107.2845	2.634	2	107.2845	2.634	2	107.2845	2.634	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	105.0020	0.282	8	105.0020	0.079	8	105.0020	0.079	8	104.9470	0.097	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CC)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CC){1|C<4>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	104.5070	0.000	1	104.5070	0.000	1	104.5070	0.000	1	104.9470	0.097	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>}	105.0700	0.000	1	105.0700	0.000	1	105.0700	0.000	1	105.0700	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|N<2>}	106.0800	0.000	1	106.0800	0.000	1	106.0800	0.000	1	106.0800	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>}	104.9050	0.000	1	104.9050	0.000	1	104.9050	0.000	1	104.9050	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH){1|C<3>}	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCF)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCF){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	105.0750	0.000	1	105.0750	0.000	1	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	105.5135	0.626	2	105.5135	0.392	2	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.1670	0.000	1	105.1670	0.000	1	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	105.1145	0.128	2	105.1145	0.016	2	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.7720	0.000	1	104.7720	0.000	1	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	106.4160	0.058	2	106.4160	0.003	2	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.0420	0.006	2	105.0420	0.000	2	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.6070	0.000	1	105.6070	0.000	1	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	105.1080	0.000	1	105.1080	0.000	1	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.7563	0.258	3	104.7563	0.067	3	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>}	104.9810	0.000	1	104.9810	0.000	1	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	104.4663	0.081	3	104.4663	0.007	3	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	103.9640	0.122	2	103.9640	0.015	2	105.0217	0.418	22	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	104.9320	0.310	2	104.9320	0.096	2	105.3077	0.471	3	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){3|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	106.0590	0.000	1	106.0590	0.000	1	105.3077	0.471	3	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	103.4430	0.000	1	103.4430	0.000	1	103.4430	0.000	1	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	105.9450	0.000	1	105.9450	0.000	1	105.5630	0.292	2	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]C)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]C){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	105.1810	0.000	1	105.1810	0.000	1	105.5630	0.292	2	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	104.4453	1.086	6	104.4453	1.179	6	104.4701	0.694	10	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.5072	0.338	4	104.5072	0.114	4	104.4701	0.694	10	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(NOO){1|C<4>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|N<3>}	101.9230	0.000	1	101.9230	0.000	1	102.2825	0.258	2	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(NOO){1|C<4>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|N<3>}	102.6420	0.000	1	102.6420	0.000	1	102.2825	0.258	2	104.7986	0.951	41	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(Br){1|C<4>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|N<3>}	104.8050	0.000	1	104.8050	0.000	1	104.8050	0.000	1	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	106.3320	0.000	1	106.3320	0.000	1	106.9708	4.790	5	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	108.3145	3.594	2	108.3145	12.918	2	106.9708	4.790	5	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	106.1970	0.000	1	106.1970	0.000	1	106.9708	4.790	5	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	105.6960	0.000	1	105.6960	0.000	1	106.9708	4.790	5	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(H){1|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	105.7460	0.000	1	105.7460	0.000	1	105.7460	0.000	1	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|N<3>}	104.1165	0.315	2	104.1165	0.099	2	104.3060	0.103	4	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|N<3>}	104.6760	0.000	1	104.6760	0.000	1	104.3060	0.103	4	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H){1|Cl<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|Cl<1>,1|H<1>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|N<3>}	104.3150	0.000	1	104.3150	0.000	1	104.3060	0.103	4	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H){1|H<1>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H){1|C<3>}	110.3180	0.000	1	110.3180	0.000	1	110.2280	0.153	16	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|N<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H){1|C<3>}	110.1250	0.000	1	110.1250	0.000	1	110.2280	0.153	16	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H){1|C<3>}	110.0981	0.277	12	110.0981	0.077	12	110.2280	0.153	16	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|N<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CHN){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H){1|C<3>}	111.0140	0.049	2	111.0140	0.002	2	110.2280	0.153	16	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[5]C[5]2)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]H)(O){1|S<1>,2|C<4>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[5]C[5]2){1|S<1>,2|C<4>,5|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H){1|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a]H)(O){1|S<1>,2|C<4>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2){1|S<1>,2|C<4>,5|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(H){1|C<3>}	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	108.3899	6.256	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN){1|N<3>}	104.5380	0.000	1	104.5380	0.000	1	104.5380	0.000	1	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(NC[5])	C[5a](C[5a]S[5a]C)(N[5a]C[5a]N)(O){1|N<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){2|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(NC[5]){1|C<3>}	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCC){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.3470	0.259	2	105.3470	0.067	2	104.9920	0.159	20	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.0095	0.287	12	105.0095	0.082	12	104.9920	0.159	20	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.3840	0.000	1	105.3840	0.000	1	104.9920	0.159	20	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHN)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHN){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	105.6940	0.000	1	105.6940	0.000	1	104.9920	0.159	20	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	104.8100	0.000	1	104.4882	0.046	4	104.9920	0.159	20	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	104.4050	0.000	1	104.4882	0.046	4	104.9920	0.159	20	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.3690	0.001	2	104.4882	0.046	4	104.9920	0.159	20	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.2600	0.132	2	105.2600	0.017	2	105.2600	0.017	2	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PCC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PCC){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|C<3>,2|H<1>}	105.6170	0.000	1	105.6170	0.000	1	105.4405	0.062	2	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|C<3>,2|H<1>}	105.2640	0.000	1	105.2640	0.000	1	105.4405	0.062	2	105.1890	0.801	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<3>}	106.0780	0.000	1	106.0780	0.000	1	106.0780	0.000	1	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|N<3>}	104.3264	0.212	5	104.3264	0.045	5	104.3264	0.045	5	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(H){1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	103.9430	0.000	1	103.9430	0.000	1	103.9430	0.000	1	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){2|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH){1|N<3>}	103.2840	0.000	1	103.2840	0.000	1	103.2840	0.000	1	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(Br)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(Br){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	103.8433	0.346	7	103.8433	0.120	7	103.8433	0.120	7	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	106.8710	0.017	2	106.8710	0.000	2	106.8710	0.000	2	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	103.9120	0.000	1	104.0433	0.107	17	104.1180	0.239	20	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<3>}	104.0090	0.191	10	104.0433	0.107	17	104.1180	0.239	20	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	104.1223	0.513	6	104.0433	0.107	17	104.1180	0.239	20	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	103.7960	0.000	1	103.7960	0.000	1	104.1180	0.239	20	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	104.9140	1.164	2	104.9140	1.355	2	104.1180	0.239	20	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCN){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){3|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){2|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	109.0420	2.639	2	109.0420	6.964	2	109.8036	0.561	19	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,3|C<3>}	109.0510	0.000	1	109.7656	0.163	8	109.8036	0.561	19	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	109.8677	0.306	7	109.7656	0.163	8	109.8036	0.561	19	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){3|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){2|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	109.7930	0.450	2	109.7930	0.202	2	109.8036	0.561	19	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>}	110.3110	0.000	1	110.0457	0.053	3	109.8036	0.561	19	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	109.9130	0.004	2	110.0457	0.053	3	109.8036	0.561	19	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)(O){1|S<1>,2|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	110.0842	0.093	4	110.0842	0.009	4	109.8036	0.561	19	106.1788	7.555	57	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Br){1|C<4>}	C[5a](C[5a]N[5a]Br)(N[5a]C[5a])(NOO){2|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCHH){1|N<3>}	104.6695	0.018	2	104.6695	0.000	2	104.6695	0.000	2	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(Cl){1|C<4>}	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(NOO){2|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(CH3){1|N<3>}	104.7760	0.000	1	104.7760	0.000	1	104.7760	0.000	1	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<3>}	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	105.8040	0.356	4	105.8040	0.127	4	105.8832	0.181	10	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H){1|N<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCH){1|N<2>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO){1|C<3>}	105.8150	0.000	1	105.8150	0.000	1	105.8832	0.181	10	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]C){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	105.6835	0.599	2	105.6835	0.359	2	105.8832	0.181	10	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	106.1447	0.535	3	106.1447	0.287	3	105.8832	0.181	10	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NCH){2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	104.9720	0.342	2	104.9720	0.117	2	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	104.1412	0.215	8	104.1412	0.046	8	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	104.1543	0.617	3	104.1543	0.381	3	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	104.3010	0.636	4	104.3010	0.404	4	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN){1|N<3>}	104.8660	0.000	1	104.8660	0.000	1	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|N<3>}	103.9350	0.000	1	103.9350	0.000	1	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|N<2>,2|N<3>}	104.3320	0.000	1	104.3320	0.000	1	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|Cl<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|Cl<1>,1|C<4>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3){1|N<3>}	104.2540	0.000	1	104.2540	0.000	1	104.2918	0.202	21	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]S)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(NOO){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO){1|N<3>}	103.3110	0.000	1	103.3110	0.000	1	103.3110	0.000	1	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CCHH){1|C<3>}	109.8510	0.000	1	109.8510	0.000	1	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|N<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	110.0140	0.000	1	110.0140	0.000	1	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCH){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	110.2301	0.447	13	110.2301	0.200	13	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CCN){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	110.7350	0.000	1	110.7350	0.000	1	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]H){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	110.0280	0.000	1	110.0280	0.000	1	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|N<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	110.5940	0.000	1	110.5940	0.000	1	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	110.1900	0.451	5	110.1900	0.204	5	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]C)(O){1|S<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH){1|C<3>}	110.1080	0.000	1	110.1080	0.000	1	110.2196	0.167	24	106.9788	7.585	61	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	104.7520	0.000	1	104.7520	0.000	1	104.7520	0.000	1	104.7055	0.004	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	104.6590	0.000	1	104.6590	0.000	1	104.6590	0.000	1	104.7055	0.004	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:3:	4:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:O[5a]-2:C-3:	B[5a]-4:C[5a]-3:C-4:	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(H)	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(H){2|F<1>}	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H){1|C<4>,2|F<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH){1|C<3>}	111.0475	0.016	2	111.0475	0.000	2	111.0475	0.000	2	111.0475	0.000	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]){1|C<4>}	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<4>}	106.0590	0.000	1	106.0590	0.000	1	105.6465	0.340	2	105.6465	0.340	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<4>}	105.2340	0.000	1	105.2340	0.000	1	105.6465	0.340	2	105.6465	0.340	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC){1|C<4>}	105.9215	0.999	2	105.9215	0.998	2	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	105.2950	0.000	1	105.2950	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	105.4880	0.471	23	105.4880	0.222	23	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	105.2785	0.322	2	105.2785	0.104	2	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	105.1760	0.201	5	105.1760	0.041	5	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	105.3355	0.517	2	105.3355	0.267	2	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	106.0490	0.000	1	106.0490	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	103.9802	0.171	4	103.9802	0.029	4	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<4>}	105.9850	0.000	1	105.9850	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	105.0650	0.000	1	105.0650	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	105.2500	0.000	1	105.2500	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	105.0820	0.000	1	105.0820	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	105.1921	0.448	19	105.1921	0.201	19	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	105.2545	0.452	15	105.2545	0.204	15	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	105.6085	0.842	2	105.6085	0.709	2	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.9952	0.452	19	104.9952	0.204	19	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHS)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHS){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	104.5390	0.000	1	104.5390	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	105.0770	0.396	4	105.0770	0.157	4	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	104.5285	0.415	2	104.5285	0.172	2	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	105.0510	0.000	1	105.0510	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC){1|C<4>}	105.3990	0.980	3	105.3990	0.961	3	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]CC){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.4780	0.298	2	104.4780	0.089	2	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	105.3673	0.341	3	105.3673	0.116	3	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<4>}	104.8740	0.823	4	104.8740	0.678	4	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.9025	0.450	4	104.9025	0.203	4	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	105.1250	0.184	2	105.1250	0.034	2	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	106.0290	0.000	1	106.0290	0.000	1	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	104.8372	0.302	4	104.8372	0.091	4	105.1720	0.304	130	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|S<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	106.7510	0.000	1	106.7510	0.000	1	105.4910	1.210	3	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH){1|S<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	104.8610	0.198	2	104.8610	0.039	2	105.4910	1.210	3	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2O){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	104.7170	0.000	1	104.7170	0.000	1	105.1070	0.114	3	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	105.2900	0.000	1	105.2900	0.000	1	105.1070	0.114	3	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PPdCC)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PPdCC){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	105.3140	0.000	1	105.3140	0.000	1	105.1070	0.114	3	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	103.4510	0.000	1	103.4510	0.000	1	103.4510	0.000	1	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	105.2980	0.000	1	105.2980	0.000	1	105.2980	0.000	1	105.1660	0.330	138	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	107.1420	0.781	2	107.1420	0.609	2	106.7439	1.048	25	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]F)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|F<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|F<1>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]F)(H){1|C<4>}	106.6430	0.000	1	106.6430	0.000	1	106.7439	1.048	25	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>}	106.8503	1.142	18	106.8503	1.304	18	106.7439	1.048	25	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>}	106.3620	0.000	1	106.3620	0.000	1	106.7439	1.048	25	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CC){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	105.8340	0.000	1	105.8340	0.000	1	106.7439	1.048	25	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	106.1270	0.000	1	106.1270	0.000	1	106.7439	1.048	25	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>}	106.0430	0.000	1	106.0430	0.000	1	106.7439	1.048	25	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]P)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(PC[6a]2Au)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]P)(N[5a]C[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(PC[6a]2Au){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|P<4>}	106.0570	0.000	1	106.0570	0.000	1	106.0570	0.000	1	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(O){1|N<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[5a]HH){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H){1|C<4>}	110.4595	0.784	2	110.4595	0.615	2	110.4595	0.615	2	106.9848	1.934	28	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	105.3040	0.000	1	105.0960	0.087	2	105.0960	0.087	2	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.8880	0.000	1	105.0960	0.087	2	105.0960	0.087	2	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.4420	0.000	1	105.3755	0.009	2	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.3090	0.000	1	105.3755	0.009	2	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.0910	0.180	4	105.0910	0.033	4	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.5360	0.000	1	105.5360	0.000	1	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.9400	0.000	1	105.9400	0.000	1	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CF3){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	104.8247	0.320	3	104.8247	0.102	3	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	104.3940	0.000	1	104.5510	0.049	2	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CFFH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	104.7080	0.000	1	104.5510	0.049	2	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	105.5365	0.581	2	105.7085	0.255	6	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.7945	0.532	4	105.7085	0.255	6	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	105.3902	0.565	4	105.2834	0.169	16	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.5440	0.000	1	105.2834	0.169	16	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	105.2670	0.000	1	105.2834	0.169	16	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.2163	0.398	10	105.2834	0.169	16	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.4278	0.391	4	105.4278	0.153	4	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	104.3665	0.227	2	104.3665	0.052	2	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	104.7060	0.000	1	104.7060	0.000	1	105.2405	0.248	42	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PBCC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PBCC){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	105.1980	0.000	1	105.6193	0.173	3	105.4987	0.207	7	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PBCC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PBCC){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	105.8300	0.281	2	105.6193	0.173	3	105.4987	0.207	7	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[5a]2W)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[5a]2W){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	105.4653	0.624	3	105.4653	0.389	3	105.4987	0.207	7	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2B)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2B){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	105.2370	0.000	1	105.2370	0.000	1	105.4987	0.207	7	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:Si-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	106.3990	0.000	1	106.3990	0.000	1	106.3990	0.000	1	105.2920	0.259	52	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<4>}	105.7340	0.000	1	105.7340	0.000	1	105.7340	0.000	1	105.7617	0.265	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HS){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	106.2900	0.000	1	106.2900	0.000	1	106.2900	0.000	1	105.7617	0.265	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	105.2610	0.000	1	105.2610	0.000	1	105.2610	0.000	1	105.7617	0.265	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	107.6145	0.427	8	107.6145	0.182	8	107.6145	0.182	8	107.0783	0.660	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|C<4>}	107.4030	0.000	2	107.4030	0.000	2	106.8401	0.700	18	107.0783	0.660	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|P<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	107.2890	0.563	8	107.2890	0.317	8	106.8401	0.700	18	107.0783	0.660	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|S<3>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|C<4>,1|S<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|C<4>}	107.1750	0.167	2	107.1750	0.028	2	106.8401	0.700	18	107.0783	0.660	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3)	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|Ir<8>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC3){1|Ir<8>,1|C<4>}	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH){1|C<4>}	106.3130	0.000	1	106.3130	0.000	1	106.8401	0.700	18	107.0783	0.660	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<4>}	105.7858	0.826	4	105.7858	0.682	4	106.8401	0.700	18	107.0783	0.660	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	106.1970	0.000	1	106.1970	0.000	1	106.8401	0.700	18	107.0783	0.660	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	3:4:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|H<1>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHN){1|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){3|C<4>,4|H<1>}	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	104.2245	0.354	2	104.2245	0.126	2	104.5888	0.139	6	105.0258	0.608	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	104.9715	0.050	2	104.9715	0.003	2	104.5888	0.139	6	105.0258	0.608	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	104.6270	0.000	1	104.6270	0.000	1	104.5888	0.139	6	105.0258	0.608	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	104.5140	0.000	1	104.5140	0.000	1	104.5888	0.139	6	105.0258	0.608	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	104.5960	0.215	2	104.5960	0.046	2	105.2642	0.726	11	105.0258	0.608	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	105.5378	0.845	8	105.5378	0.713	8	105.2642	0.726	11	105.0258	0.608	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH){1|C<4>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	104.4120	0.000	1	104.4120	0.000	1	105.2642	0.726	11	105.0258	0.608	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:2:4:	4:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	B-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|B<4>,1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	108.2310	0.427	3	108.2310	0.182	3	108.2310	0.182	3	108.2310	0.182	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(Br)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(Br){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Br<1>,1|H<1>}	105.5400	0.000	1	105.5400	0.000	1	105.5400	0.000	1	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.8827	0.234	3	106.8827	0.055	3	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.3149	0.903	27	107.3149	0.815	27	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	107.4640	0.467	2	107.4640	0.218	2	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.1805	0.153	2	107.0435	0.035	4	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.9065	0.077	2	107.0435	0.035	4	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.8788	0.106	5	106.7749	0.091	9	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.6450	0.434	4	106.7749	0.091	9	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<2>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	108.6330	0.000	1	108.4664	0.284	5	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	108.4248	0.605	4	108.4664	0.284	5	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	107.4240	1.492	10	107.4240	2.227	10	107.3133	0.912	60	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(I)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(I){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	106.3750	0.000	1	106.3750	0.000	1	106.3750	0.000	1	107.2695	0.946	62	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|B<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2){2|H<1>}	108.0350	0.555	3	108.0350	0.308	3	108.0350	0.308	3	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|H<1>}	106.6120	0.000	1	106.6120	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	107.3357	0.454	6	107.3357	0.206	6	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	106.3120	0.000	1	106.3120	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH){1|C<3>,1|H<1>}	106.7110	0.000	1	106.7110	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	106.8880	0.853	2	106.8880	0.727	2	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	106.3590	0.000	1	106.3590	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	106.7650	0.000	1	106.7650	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){1|H<1>,1|N<3>}	107.4797	0.200	3	107.4797	0.040	3	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC){2|H<1>}	106.2060	0.000	1	106.2060	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	107.4840	0.000	1	107.4840	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){2|H<1>}	106.9195	0.280	6	106.9195	0.078	6	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	106.5435	0.391	12	106.5435	0.153	12	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O){2|H<1>}	105.5640	1.117	3	105.5640	1.248	3	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O){2|H<1>}	107.4005	0.217	2	107.4005	0.047	2	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|H<1>}	106.9130	0.000	1	106.9130	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	106.7158	0.587	18	106.7158	0.345	18	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C){2|H<1>}	106.5067	0.588	3	106.5067	0.346	3	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC){2|H<1>}	107.1180	0.000	1	107.1180	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS){2|H<1>}	106.9140	0.000	1	106.9140	0.000	1	106.7624	0.376	65	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	104.8870	0.000	1	104.8870	0.000	1	105.7527	0.792	3	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH){2|H<1>}	105.7060	0.000	1	105.7060	0.000	1	105.7527	0.792	3	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH){2|H<1>}	106.6650	0.000	1	106.6650	0.000	1	105.7527	0.792	3	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(I)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(I){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|I<1>,1|N<3>}	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	108.0310	0.000	1	108.0310	0.000	1	107.1575	0.425	4	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	106.8663	0.359	3	106.8663	0.129	3	107.1575	0.425	4	106.7929	0.480	76	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(Br)	C[5a](C[5a]N[5a]Br)2(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(Br){1|Br<1>}	C[5a](C[5a]N[5a]Br)2(Br){1|B<4>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H){2|Br<1>}	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(Br)	C[5a](C[5a]N[5a]Br)2(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(Br){1|Br<1>}	C[5a](C[5a]N[5a]Br)2(Br){1|C<4>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN){2|Br<1>}	108.0983	1.266	3	108.0983	1.602	3	108.0983	1.602	3	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:P-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]P)(Br)	C[5a](C[5a]N[5a]Br)2(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]P)(Br){1|Br<1>}	C[5a](C[5a]N[5a]Br)2(Br){1|P<4>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O){2|Br<1>}	107.9070	1.657	5	107.9070	2.745	5	107.9070	2.745	5	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	107.2153	1.022	3	107.2153	1.046	3	107.0493	0.807	4	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(Br){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){1|Br<1>,1|C<4>}	106.5510	0.000	1	106.5510	0.000	1	107.0493	0.807	4	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(Br)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(Br){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF){1|Br<1>,1|H<1>}	105.1375	0.699	2	105.1375	0.489	2	105.1375	0.489	2	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	108.1925	0.497	2	108.2232	0.556	11	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	108.2300	0.815	9	108.2232	0.556	11	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	107.8003	0.872	4	107.8003	0.761	4	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	108.9655	0.021	2	108.7785	0.066	4	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	108.5915	0.238	2	108.7785	0.066	4	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	109.4252	0.524	5	109.4252	0.275	5	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	108.5497	1.014	3	108.5448	0.491	6	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	108.5400	0.447	3	108.5448	0.491	6	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H){1|Fe<10>,1|B<4>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	109.0416	0.336	5	109.0416	0.113	5	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	107.8116	1.541	11	107.8116	2.374	11	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3){2|H<1>}	108.6008	0.328	5	108.6008	0.107	5	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	108.4515	1.690	6	108.4515	2.855	6	108.4213	1.148	57	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	106.8990	0.170	3	106.8990	0.029	3	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	107.0143	0.422	6	107.0895	0.190	8	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	107.3150	0.547	2	107.0895	0.190	8	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH){1|C<3>,1|H<1>}	107.3080	0.000	1	107.3080	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	107.7040	0.000	1	107.7040	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	107.1907	0.328	20	107.2603	0.131	24	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	107.6088	0.358	4	107.2603	0.131	24	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	106.7530	0.000	1	106.7530	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	106.3884	0.156	5	106.3884	0.024	5	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	106.7807	0.252	3	106.7807	0.064	3	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	106.9795	0.272	2	106.9795	0.074	2	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	106.1255	0.267	2	106.1255	0.071	2	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H){1|Fe<10>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	107.3600	0.000	1	107.3600	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	111.7285	0.851	2	111.7285	0.724	2	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|N<3>}	107.1990	0.000	1	107.1990	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	107.1418	0.302	8	107.1418	0.091	8	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	107.3760	0.000	1	107.3760	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	107.6780	0.000	1	107.6780	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	106.8480	0.074	2	106.8480	0.005	2	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	107.0054	1.402	11	107.0054	1.965	11	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	107.1090	0.214	4	107.1090	0.046	4	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	107.8550	0.747	2	107.8550	0.558	2	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	107.0903	0.400	3	107.0903	0.160	3	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	107.3343	0.381	22	107.3343	0.145	22	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	107.1763	0.012	3	107.1763	0.000	3	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C){2|H<1>}	106.4370	0.000	1	106.4370	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	106.4843	0.394	7	106.4843	0.155	7	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P){2|H<1>}	104.6820	0.000	1	104.6820	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	107.3290	0.119	2	107.3290	0.014	2	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	106.5664	0.649	72	106.5664	0.422	72	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	106.7677	0.271	15	106.7677	0.073	15	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	106.5581	0.396	14	106.5581	0.157	14	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	106.4090	0.000	1	106.4090	0.000	1	106.8967	0.638	224	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|P<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu){2|H<1>}	106.9977	0.232	3	106.9977	0.054	3	106.9977	0.054	3	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|S<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){2|H<1>}	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(I)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(I){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|I<1>}	107.4920	0.000	1	107.4920	0.000	1	108.1097	0.286	3	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(I)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(I){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	108.4185	0.015	2	108.4185	0.000	2	108.1097	0.286	3	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]S[5a]C)(O)	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]S[5a]C)(O){1|Cl<1>}	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H){1|C<4>}	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|Cl<1>,1|H<1>}	109.1555	0.473	2	109.1555	0.224	2	109.1555	0.224	2	107.2303	1.177	305	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(H){2|Br<1>,1|C<3>,1|N<3>}	107.3290	0.000	1	107.3290	0.000	1	108.4956	0.712	21	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){2|Br<1>}	108.9918	0.356	5	108.5111	0.874	11	108.4956	0.712	21	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Br)(Br){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){2|Br<1>}	108.1105	1.106	6	108.5111	0.874	11	108.4956	0.712	21	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Br)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Br)(Br){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|Br<1>,1|N<3>}	108.8200	0.000	1	108.8200	0.000	1	108.4956	0.712	21	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(Br){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|Br<1>,1|H<1>}	108.5796	0.753	8	108.5796	0.566	8	108.4956	0.712	21	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Br){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	109.9220	0.000	1	109.9220	0.000	1	109.1510	1.189	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Br){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){2|H<1>}	108.3800	0.000	1	108.3800	0.000	1	109.1510	1.189	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]I)(N[5a]C[5a]H)(Br)	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]I)(N[5a]C[5a]H)(Br){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]C)(I){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|C<3>,1|I<1>}	107.4665	0.934	2	107.4665	0.873	2	107.4665	0.873	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){1|Br<1>,1|Cl<1>}	108.9340	0.000	1	108.9340	0.000	1	109.1750	0.282	3	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(Cl){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]Cl)(Cl){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){1|Cl<1>,1|N<3>}	109.2955	0.691	2	109.2955	0.477	2	109.1750	0.282	3	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){2|H<1>}	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(F)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]F)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]F)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(F){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]F)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]F)(H){1|C<3>,1|H<1>}	111.2395	0.258	2	111.2395	0.067	2	111.2395	0.067	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.1570	0.000	1	110.1570	0.000	1	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.7230	0.000	1	110.1040	0.766	2	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Pd<5>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|Pd<5>,2|C<4>,2|H<1>}	109.4850	0.000	1	110.1040	0.766	2	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	110.4470	0.000	1	110.3472	0.218	5	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	110.5980	0.000	1	110.3472	0.218	5	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Pt<4>,1|H<1>,2|C<3>}	110.5050	0.000	1	110.3472	0.218	5	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Ru<7>,1|H<1>,2|C<3>}	110.6610	0.000	1	110.3472	0.218	5	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	109.5250	0.000	1	110.3472	0.218	5	110.2626	0.248	8	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>,2|C<3>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|Cl<1>,2|C<3>}	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.9210	0.000	1	110.9210	0.000	1	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	109.9900	0.000	1	109.9900	0.000	1	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	109.9350	0.000	1	110.0317	0.035	3	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.2470	0.000	1	110.0317	0.035	3	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	109.9130	0.000	1	110.0317	0.035	3	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.5223	0.193	7	110.3549	0.173	10	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	110.6210	0.000	1	110.3549	0.173	10	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	109.6360	0.175	2	110.3549	0.173	10	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.9405	0.254	2	109.9405	0.064	2	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.0565	0.018	2	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.2470	0.000	1	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	111.6440	0.000	1	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	110.1435	0.439	2	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.4574	0.374	5	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.1005	0.387	2	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	111.4915	0.497	2	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.4870	0.472	2	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0430	0.000	1	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	109.9325	0.711	17	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	110.4790	0.000	1	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.9815	0.333	6	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	110.1406	0.388	15	110.1774	0.352	57	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.4727	0.359	4	110.4096	0.117	7	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.1980	0.000	1	110.4096	0.117	7	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.7450	0.000	1	110.4096	0.117	7	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.0330	0.000	1	110.4096	0.117	7	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	111.8240	0.000	1	111.1055	1.032	2	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	110.3870	0.000	1	111.1055	1.032	2	110.2364	0.318	83	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	107.3272	0.307	5	107.3272	0.095	5	107.3272	0.095	5	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Cl)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Cl){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>}	107.5660	0.000	1	107.5660	0.000	1	107.8605	0.173	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(Cl)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(Cl){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cl<1>,1|O<2>}	108.1550	0.000	1	108.1550	0.000	1	107.8605	0.173	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]F)(C[5a]N[5a]H)(F)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H){1|C<3>,1|F<1>}	C[5a](C[5a]C[5a]F)(C[5a]N[5a]H)(F){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|F<1>}	107.2775	0.022	2	107.2775	0.000	2	107.5429	0.042	9	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]F)(C[5a]N[5a]H)(F)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H){1|C<3>,1|F<1>}	C[5a](C[5a]C[5a]F)(C[5a]N[5a]H)(F){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|F<1>}	107.6187	0.162	7	107.6187	0.026	7	107.5429	0.042	9	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	109.8865	0.565	2	109.8865	0.319	2	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	108.3470	0.000	1	108.3470	0.000	1	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	108.6475	0.049	2	108.5349	0.220	7	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	109.0370	0.000	1	108.5349	0.220	7	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	107.6100	0.000	1	108.5349	0.220	7	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	108.6007	0.292	3	108.5349	0.220	7	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	108.6650	0.000	1	108.3015	0.121	4	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	108.1803	0.305	3	108.3015	0.121	4	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|H<1>}	108.5660	0.000	1	108.5660	0.000	1	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H){2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|H<1>}	108.9720	0.000	1	108.6275	0.237	2	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<4>,1|H<1>}	108.2830	0.000	1	108.6275	0.237	2	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<4>,1|H<1>}	108.1180	0.000	1	108.1180	0.000	1	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	108.1190	0.000	1	108.1190	0.000	1	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	107.8120	0.511	2	108.2838	0.577	40	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	108.2977	0.784	36	108.2838	0.577	40	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	108.7970	0.000	1	108.2838	0.577	40	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<2>,1|N<3>,2|H<1>}	108.2140	0.000	1	108.2838	0.577	40	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	108.6960	0.307	2	108.4118	0.397	274	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	108.6733	0.543	161	108.4118	0.397	274	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	108.0275	0.552	111	108.4118	0.397	274	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	110.5340	0.000	2	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	108.4315	0.030	2	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	109.0135	0.015	2	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	108.5690	0.219	2	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	108.2890	0.000	1	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	108.5690	0.000	1	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	108.0850	0.000	1	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,3|H<1>}	107.8280	0.010	2	108.7458	0.767	13	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	108.1490	0.000	1	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	108.6108	0.592	16	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.9558	0.388	5	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.5310	0.000	1	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	107.9363	0.171	3	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	107.8190	0.020	2	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	107.9750	0.000	1	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|N<3>,3|H<1>}	108.3710	0.000	1	108.3342	0.313	30	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	108.2495	0.599	17	108.2456	0.245	28	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	108.2395	0.296	11	108.2456	0.245	28	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H){2|H<1>}	108.1730	0.806	3	108.1730	0.649	3	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(H){2|H<1>}	109.7850	0.000	1	109.7850	0.000	1	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){2|H<1>}	108.1039	0.648	9	108.1039	0.420	9	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	108.8490	0.000	1	108.8490	0.000	1	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|N<2>}	109.5490	0.000	1	109.5490	0.000	1	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	108.6105	0.193	2	108.6105	0.037	2	108.4009	0.416	421	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]I)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(I)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]I)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(I){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|I<1>}	107.8770	0.000	1	107.8770	0.000	1	107.8770	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H){1|C<4>,1|H<1>}	107.8740	0.208	2	107.8740	0.043	2	107.8740	0.043	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H){2|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	111.9230	0.000	1	111.9230	0.000	1	111.9230	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Ag)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|Ag<4>,1|C<3>}	C[5a](N[5a]C[5a]Ag)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ag<4>,1|H<1>}	107.1960	0.000	1	107.1960	0.000	1	107.1960	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(Br)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(Br){2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|Br<1>,1|C<4>}	104.9200	0.000	1	104.9200	0.000	1	104.9200	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	106.5090	0.000	1	106.5090	0.000	1	106.5090	0.000	1	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)(H){1|C<4>,2|C<3>,2|H<1>}	112.2140	0.228	2	112.2140	0.052	2	112.2140	0.052	2	108.6992	1.015	571	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]O)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]N[5a]H)2(Br)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(Br){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	106.0775	0.309	2	106.0775	0.095	2	106.0775	0.095	2	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	C[5a](C[5a]N[5a]H)2(Cl)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)2(Cl){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	105.1300	0.471	2	105.1300	0.222	2	105.1300	0.222	2	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	C[5a](C[5a]N[5a]H)2(Cl)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(Cl){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	105.4235	0.105	2	105.4235	0.011	2	105.4235	0.011	2	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	106.2830	0.000	1	106.2830	0.000	1	106.8787	0.681	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	105.9470	0.000	1	105.9470	0.000	1	106.8787	0.681	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	106.6100	0.000	1	107.4497	0.330	4	106.8787	0.681	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	107.5590	0.000	1	107.4497	0.330	4	106.8787	0.681	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	107.8150	0.069	2	107.4497	0.330	4	106.8787	0.681	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	106.1220	0.000	1	106.1220	0.000	1	106.8787	0.681	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.5380	0.096	2	107.2419	0.064	7	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.1234	0.179	5	107.2419	0.064	7	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	107.1185	0.103	2	107.1185	0.011	2	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	107.6710	0.000	1	107.6710	0.000	1	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]Br)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	C[5a](C[5a]N[5a]Br)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	107.3600	0.000	1	107.3600	0.000	1	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.8650	0.153	3	106.9173	0.045	7	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	107.2800	0.000	1	106.9173	0.045	7	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	107.0150	0.000	1	106.9173	0.045	7	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	106.8770	0.000	1	106.9173	0.045	7	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.6540	0.000	1	106.9173	0.045	7	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	107.0770	0.134	2	107.3833	0.165	12	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	107.1660	0.000	1	107.3833	0.165	12	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	106.9120	0.000	1	107.3833	0.165	12	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	107.5789	0.423	7	107.3833	0.165	12	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	107.3160	0.000	1	107.3833	0.165	12	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	106.6330	0.000	1	106.6330	0.000	1	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	108.3250	0.000	1	108.3250	0.000	1	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<6>,2|C<3>,3|H<1>}	108.4050	0.000	1	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	107.4260	0.000	1	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	107.4960	0.048	2	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	107.1334	0.391	13	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<4>,2|C<3>,3|H<1>}	108.8740	0.000	1	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	107.6600	0.000	1	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	107.0170	0.000	1	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	106.8827	0.978	17	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.0930	0.000	1	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.8705	0.878	2	107.0987	0.653	40	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	106.7454	0.311	5	106.7454	0.097	5	107.1379	0.425	77	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	106.6547	0.648	6	106.6547	0.420	6	106.6547	0.420	6	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.9350	0.286	2	106.9350	0.082	2	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	106.8720	0.000	1	106.8720	0.000	1	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.2957	0.078	3	107.2957	0.006	3	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	106.9490	0.000	1	106.6615	0.044	4	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	106.5657	0.103	3	106.6615	0.044	4	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	107.1237	0.347	6	107.1237	0.120	6	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.8772	0.236	5	106.8772	0.056	5	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	106.5900	0.000	1	106.7368	0.322	59	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	107.2348	0.246	6	106.7368	0.322	59	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	106.7126	0.586	47	106.7368	0.322	59	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	106.6510	0.472	2	106.7368	0.322	59	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	106.2273	0.182	3	106.7368	0.322	59	106.7985	0.272	80	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	C[5a](C[5a]N[5a]H)2(I)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(I){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	106.1470	0.000	1	106.1470	0.000	1	106.1470	0.000	1	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H){1|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a]){1|C<3>,1|I<1>,1|S<2>,3|H<1>}	107.4190	0.000	1	107.4190	0.000	1	107.4190	0.000	1	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	107.6870	0.000	1	107.2313	0.239	7	107.2313	0.239	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	107.1365	0.325	2	107.2313	0.239	7	107.2313	0.239	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	107.4450	0.000	1	107.2313	0.239	7	107.2313	0.239	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	106.8070	0.000	1	107.2313	0.239	7	107.2313	0.239	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]I)(H){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	107.2035	0.936	2	107.2313	0.239	7	107.2313	0.239	7	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a](N[5a]C[6a]O[5a])(C[5a]C[5a]H)(O)	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[6a]O[5a])(C[5a]C[5a]H)(O){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]N[5a]O)(H){3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	104.0580	0.000	1	104.0580	0.000	1	104.0580	0.000	1	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[5a](N[5a]C[6a]S[5a])(C[5a]C[5a]H)(O)	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	C[5a](N[5a]C[6a]S[5a])(C[5a]C[5a]H)(O){1|Cl<1>,2|C<3>}	C[5a](C[5a]S[5a]Cl)(C[5a]N[5a]O)(H){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|Cl<1>,2|C<3>,3|H<1>}	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	106.9051	0.496	188	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(Br)	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(Br){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br){2|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)(Cl){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(CCH){1|Br<1>,1|Cl<1>}	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	109.3590	0.000	1	109.1137	0.047	3	109.1137	0.047	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]2)(Cl){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Cl)(Cl){2|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,2|Cl<1>,1|N<3>,2|C<3>}	108.9910	0.066	2	109.1137	0.047	3	109.1137	0.047	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(Cl){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC){1|C<4>,1|H<1>,2|C<3>}	108.6580	0.000	1	108.6580	0.000	1	108.6580	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCN)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCN){1|Pd<4>,1|H<1>,2|C<3>}	109.9525	0.289	2	109.9525	0.084	2	109.9525	0.084	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	111.1050	0.000	1	111.4920	0.300	2	111.4920	0.300	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){2|C<3>,2|H<1>}	111.8790	0.000	1	111.4920	0.300	2	111.4920	0.300	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){2|C<3>,2|H<1>}	109.5730	0.000	1	109.5730	0.000	1	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Br<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN){2|C<3>,2|H<1>}	110.4720	0.000	1	110.4720	0.000	1	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	109.6980	0.000	1	109.8118	0.162	15	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	110.6680	0.004	2	109.8118	0.162	15	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	109.6480	0.198	10	109.8118	0.162	15	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){2|C<3>,2|H<1>}	109.8315	0.402	2	109.8118	0.162	15	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O){2|C<3>,2|H<1>}	109.8640	0.000	1	109.8640	0.000	1	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	109.7500	0.103	3	109.7500	0.011	3	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	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>}	109.7065	0.073	2	109.7065	0.005	2	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	109.8683	0.471	4	109.8683	0.222	4	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN){2|C<3>,2|H<1>}	110.0370	0.000	1	110.0370	0.000	1	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO){2|C<3>,2|H<1>}	109.8570	0.000	1	109.8570	0.000	1	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.0830	0.000	1	109.8988	0.057	4	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	109.6960	0.069	2	109.8988	0.057	4	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	110.1200	0.000	1	109.8988	0.057	4	109.8397	0.116	33	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H){2|C<3>,2|H<1>}	109.6550	0.000	1	109.6550	0.000	1	109.4460	0.077	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(NCH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(NCH){1|H<1>,2|C<3>}	109.3415	0.298	2	109.3415	0.089	2	109.4460	0.077	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	111.5860	0.000	1	111.5860	0.000	1	111.7270	0.015	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2){1|H<1>,1|P<3>,2|C<3>}	111.7975	0.023	2	111.7975	0.001	2	111.7270	0.015	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){1|Br<1>,1|Si<4>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(Br){1|Si<4>,1|C<3>}	N[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)(COO){2|Br<1>}	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	108.3070	0.000	1	108.3070	0.000	1	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){1|C<3>,1|H<1>}	108.1910	0.000	1	108.1910	0.000	1	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO){1|H<1>,3|C<3>}	108.3150	0.000	1	108.3150	0.000	1	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]B)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|B<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|B<3>,1|C<3>}	N[5a](C[5a]C[5a]B)(C[5a]C[5a]H)(COO){2|H<1>}	108.0690	0.533	2	108.0690	0.284	2	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCO){2|H<1>}	108.9540	0.000	1	108.9540	0.000	1	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	108.5580	0.000	1	109.2600	0.986	2	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	109.9620	0.000	1	109.2600	0.986	2	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	109.8600	0.000	1	109.0103	0.653	3	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	108.5855	0.472	2	109.0103	0.653	3	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	108.6255	0.405	2	108.2664	0.162	5	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	108.0270	0.163	3	108.2664	0.162	5	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	108.0130	0.031	3	108.0130	0.001	3	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CCH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CCH){2|H<1>}	108.3582	0.148	4	108.3582	0.022	4	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CCN)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CCN){2|H<1>}	108.3620	0.656	4	108.3620	0.430	4	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CCO){2|H<1>}	108.0092	1.004	10	108.0092	1.008	10	108.3189	0.519	37	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O){1|Cu<5>,2|H<1>,3|C<3>}	109.5775	0.197	2	109.5775	0.039	2	108.0668	0.370	21	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	107.8250	0.000	1	107.8250	0.000	1	108.0668	0.370	21	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2{1|B<4>,2|H<1>,3|C<3>}	108.3240	0.437	2	108.3240	0.191	2	108.0668	0.370	21	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|N<2>,2|H<1>,3|C<3>}	107.8905	0.296	8	107.8905	0.087	8	108.0668	0.370	21	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|C<2>,1|C<3>,1|N<2>,2|H<1>}	107.3875	0.388	2	107.6410	0.152	4	108.0668	0.370	21	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|N<2>,2|C<3>,2|H<1>}	107.8945	0.223	2	107.6410	0.152	4	108.0668	0.370	21	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2{2|C<3>,2|H<1>}	108.0217	0.347	4	108.0217	0.121	4	108.0668	0.370	21	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC){1|C<3>,1|N<3>,2|H<1>}	107.6851	0.170	8	107.6851	0.029	8	107.6851	0.029	8	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]I)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]I)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(I){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|I<1>,2|C<3>}	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CCO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CCO){1|C<3>,1|H<1>}	108.1285	0.841	2	108.1285	0.707	2	108.1285	0.707	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]Cd)(C[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHH)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|Cd<4>,1|N<3>}	C[5a](N[5a]C[5a]Cd)(C[5a]N[5a]H)(O){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHH){1|Cd<4>,1|O<1>}	101.5180	0.000	1	101.5180	0.000	1	101.5180	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){4|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>}	103.6010	0.000	1	103.6010	0.000	1	104.4535	1.454	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS){1|C<3>,1|H<1>}	105.3060	0.000	1	105.3060	0.000	1	104.4535	1.454	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]O)(CNS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|Ru<9>,1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){1|Ru<9>,3|C<3>}	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]O)(CNS){1|C<3>,1|H<1>}	103.1240	0.000	1	103.1240	0.000	1	103.8717	0.438	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]O)(CNS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|Ru<9>,1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|Ru<9>,1|C<3>}	N[5a](N[5a]C[5a]Ru)(C[5a]C[5a]O)(CNS){1|C<4>,1|H<1>}	104.1080	0.000	1	104.1080	0.000	1	103.8717	0.438	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]O)(CNS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|Zn<5>,1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|Zn<5>,1|C<3>}	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]O)(CNS){1|C<4>,1|H<1>}	104.3830	0.000	1	104.3830	0.000	1	103.8717	0.438	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]Cl)(Cl){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){3|Cl<1>,1|O<2>,2|C<3>}	108.5710	0.000	1	108.5710	0.000	1	108.5710	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2)	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2){1|Cu<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.1885	0.467	2	110.1885	0.218	2	110.1885	0.218	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	108.5420	0.000	1	108.5420	0.000	1	109.9901	0.496	10	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	110.1407	0.282	3	110.1510	0.267	9	109.9901	0.496	10	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,3|H<1>,4|C<3>}	110.3325	1.307	2	110.1510	0.267	9	109.9901	0.496	10	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	109.8890	0.156	2	110.1510	0.267	9	109.9901	0.496	10	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	110.2470	0.134	2	110.1510	0.267	9	109.9901	0.496	10	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H){2|C<3>,2|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H){1|Pt<4>,2|H<1>,4|C<3>}	108.9210	0.000	1	108.9210	0.000	1	108.9210	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	110.2420	0.000	1	110.4208	0.021	5	110.4208	0.021	5	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	110.4655	0.122	4	110.4208	0.021	5	110.4208	0.021	5	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	109.6137	0.375	3	109.6137	0.140	3	109.6137	0.140	3	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	109.1765	0.230	2	109.1765	0.053	2	109.8691	0.291	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	110.1060	0.000	1	109.9930	0.172	4	109.8691	0.291	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	109.9553	0.500	3	109.9930	0.172	4	109.8691	0.291	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>,2|N<2>}	109.6300	0.000	1	109.6300	0.000	1	109.8691	0.291	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	110.2860	0.000	1	110.4335	0.044	2	109.8691	0.291	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	110.5810	0.000	1	110.4335	0.044	2	109.8691	0.291	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a](N[5a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	109.1225	0.240	2	109.1225	0.057	2	109.1225	0.057	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	109.9560	0.089	2	109.9560	0.008	2	110.3605	0.237	13	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	109.8880	0.000	2	109.8880	0.000	2	110.3605	0.237	13	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	109.7200	0.000	1	110.1250	0.328	2	110.3605	0.237	13	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	110.5300	0.000	1	110.1250	0.328	2	110.3605	0.237	13	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	109.9960	0.000	1	109.9960	0.000	1	110.3605	0.237	13	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	110.7920	0.271	6	110.7920	0.074	6	110.3605	0.237	13	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H){1|B<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H){2|Cl<1>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(Cl){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){3|Cl<1>,1|O<2>,2|C<3>}	108.1000	0.000	1	108.1000	0.000	1	108.1000	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	108.8350	0.000	1	108.8350	0.000	1	108.3235	0.523	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	107.8120	0.000	1	107.8120	0.000	1	108.3235	0.523	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[5]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	107.6560	0.223	2	107.6560	0.050	2	107.6560	0.050	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6]C[6]2){2|C<3>,4|H<1>}	108.0600	0.465	2	108.0600	0.216	2	108.0600	0.216	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	108.9490	0.000	1	108.9490	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	108.4580	0.000	1	108.6670	0.087	2	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	108.8760	0.000	1	108.6670	0.087	2	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	108.8510	0.000	1	108.8510	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,2|N<2>}	108.0110	0.000	1	108.7357	0.233	7	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	108.8670	0.338	2	108.7357	0.233	7	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	109.1660	0.000	1	108.7357	0.233	7	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	109.3310	0.000	1	108.7357	0.233	7	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	108.4540	0.160	2	108.7357	0.233	7	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>}	108.5010	0.000	1	108.5010	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	107.7050	0.000	1	107.9415	0.112	2	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.1780	0.000	1	107.9415	0.112	2	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	109.2730	0.000	1	109.2730	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|P<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2){2|C<3>,4|H<1>}	108.6750	0.000	1	108.6750	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	108.2045	0.305	2	108.2483	0.204	42	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	108.4570	0.339	27	108.2483	0.204	42	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|Cl<1>,2|C<3>,2|H<1>}	107.7021	0.257	11	108.2483	0.204	42	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	108.4785	0.209	2	108.2483	0.204	42	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|S<4>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	109.3110	0.000	1	109.3110	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<3>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	109.0920	0.000	1	109.0920	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|Rh<4>,1|S<3>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H){1|Rh<4>,1|C<3>}	N[5a](C[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	108.2640	0.000	1	108.2640	0.000	1	108.3887	0.249	61	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	107.0650	0.000	1	107.0650	0.000	1	106.6671	0.387	25	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	106.1343	0.272	4	106.6505	0.396	24	106.6671	0.387	25	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	107.0331	0.518	14	106.6505	0.396	24	106.6671	0.387	25	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	105.9818	0.317	4	106.6505	0.396	24	106.6671	0.387	25	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,2|N<3>}	106.3425	0.108	2	106.6505	0.396	24	106.6671	0.387	25	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|C<3>,4|H<1>}	106.9165	0.095	2	106.4840	0.211	5	106.4840	0.211	5	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|N<2>,4|H<1>}	106.1957	0.326	3	106.4840	0.211	5	106.4840	0.211	5	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si[4]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|Si<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2){1|C<3>,2|C<4>,2|H<1>}	109.6230	0.000	1	109.6230	0.000	1	109.6230	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2{1|C<4>,2|H<1>,3|C<3>}	107.7955	0.299	2	107.7955	0.089	2	108.2857	0.284	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,2|H<1>,3|C<3>}	109.3290	0.000	1	109.3290	0.000	1	108.2857	0.284	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	108.2710	0.406	4	108.2710	0.165	4	108.2857	0.284	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2{1|C<2>,2|C<3>,2|H<1>}	108.2835	0.337	2	108.2835	0.114	2	108.2857	0.284	9	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	N[6]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]N[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|N<3>}	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.1719	0.449	8	107.1719	0.202	8	107.1719	0.202	8	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(I){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	108.8855	0.627	2	108.8855	0.393	2	108.8855	0.393	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	B[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|Si<4>,3|C<3>}	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	109.4245	0.087	4	109.4245	0.008	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Al<4>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Al<4>,3|C<3>}	N[5a](B[5a]N[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.3400	0.041	2	109.3400	0.002	2	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Be)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Be<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Be<3>,3|C<3>}	N[5a](B[5a]N[5a]Be)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.2795	0.541	4	109.2795	0.293	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Br<1>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Br<1>,3|C<3>}	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	110.0485	0.256	4	110.0485	0.065	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.1254	0.377	10	109.3970	0.111	50	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.4649	0.289	40	109.3970	0.111	50	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,3|C<3>}	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.3995	0.534	2	109.3995	0.285	2	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Fe<8>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Fe<8>,3|C<3>}	N[5a](B[5a]N[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.2375	0.371	2	109.2375	0.138	2	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<3>,3|C<3>}	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.1645	0.374	4	109.1318	0.147	10	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<4>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<4>,3|C<3>}	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.1100	0.422	6	109.1318	0.147	10	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<2>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<2>,3|C<3>}	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.2325	0.766	2	109.4024	0.492	12	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<3>,3|C<3>}	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.5154	0.802	8	109.4024	0.492	12	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<4>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<4>,3|C<3>}	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.1205	0.090	2	109.4024	0.492	12	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|I<1>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|I<1>,3|C<3>}	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.3930	0.307	4	109.3930	0.094	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|In<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|In<3>,3|C<3>}	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.2905	0.201	4	109.2905	0.040	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Li)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Li<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Li<3>,3|C<3>}	N[5a](B[5a]N[5a]Li)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	108.7610	0.140	4	108.7610	0.020	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<4>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<4>,3|C<3>}	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	108.9820	0.028	2	109.0270	0.006	3	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<6>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<6>,3|C<3>}	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.1170	0.000	1	109.0270	0.006	3	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.5718	0.350	4	109.6231	0.102	28	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.6316	0.321	24	109.6231	0.102	28	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	110.4475	0.453	2	110.4475	0.205	2	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	109.8440	0.288	4	109.8440	0.083	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	109.6397	0.152	3	109.6880	0.040	7	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<4>,1|H<1>,3|C<3>,3|C<4>}	109.7242	0.244	4	109.6880	0.040	7	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<2>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<2>,3|C<3>}	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.4565	0.464	4	109.4570	0.231	6	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<3>,3|C<3>}	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.4580	0.714	2	109.4570	0.231	6	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<2>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<2>,3|C<3>}	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.4250	0.353	7	109.4178	0.092	11	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.4052	0.240	4	109.4178	0.092	11	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|C<3>}	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	109.3732	0.557	4	109.3732	0.310	4	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Re<6>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Re<6>,3|C<3>}	N[5a](B[5a]N[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.3920	0.000	1	109.3920	0.000	1	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sc)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sc<9>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sc<9>,3|C<3>}	N[5a](B[5a]N[5a]Sc)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.1820	1.025	2	109.1820	1.051	2	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<2>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<2>,3|C<3>}	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.2030	0.454	2	109.4555	0.197	6	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,3|C<3>}	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.5817	0.443	4	109.4555	0.197	6	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<2>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<2>,3|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.2430	0.839	4	109.3344	0.228	24	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,3|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	109.1170	0.000	1	109.3344	0.228	24	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,3|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.2290	0.344	3	109.3344	0.228	24	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<4>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<4>,3|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.3906	0.427	16	109.3344	0.228	24	109.4285	0.189	200	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	108.1374	0.357	8	108.1374	0.127	8	108.0275	0.177	10	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	107.5880	0.470	2	107.5880	0.220	2	108.0275	0.177	10	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|As<2>,3|C<3>}	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|As<2>,3|C<3>}	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	113.5090	0.184	2	113.5090	0.034	2	113.6750	0.243	8	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|C<3>}	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	114.0040	0.197	2	114.0040	0.039	2	113.6750	0.243	8	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]V)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|V<11>,3|C<3>}	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|V<11>,3|C<3>}	N[5a](Si[5a]N[5a]V)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	113.5935	0.666	4	113.5935	0.444	4	113.6750	0.243	8	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(I){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){4|C<3>,4|H<1>}	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	108.1190	0.000	1	108.4635	0.237	2	108.4635	0.237	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	108.8080	0.000	1	108.4635	0.237	2	108.4635	0.237	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.0165	0.801	2	106.4336	2.290	5	106.4336	2.290	5	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	105.3783	0.287	3	106.4336	2.290	5	106.4336	2.290	5	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	104.2490	0.112	2	104.2490	0.012	2	104.2490	0.012	2	108.9119	1.923	520	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3){1|Br<1>,1|H<1>}	108.9315	0.640	2	108.9315	0.410	2	109.1187	0.310	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(Br){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(Br){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO){1|Br<1>,1|H<1>}	109.4930	0.000	1	109.4930	0.000	1	109.1187	0.310	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	110.1990	0.000	1	110.1990	0.000	1	110.2600	0.099	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]Cl)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]C)(H){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)2(CH3){1|C<3>,1|H<1>}	110.2905	0.439	2	110.2905	0.193	2	110.2600	0.099	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]Cl)2(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(Cl){1|Cl<1>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|Cl<1>,1|S<4>}	N[5a](C[5a]C[5a]Cl)2(SC[6a]OO){2|H<1>}	109.4520	0.639	2	109.4520	0.409	2	109.4520	0.409	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	111.1010	0.000	1	111.1010	0.000	1	111.0436	0.934	7	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	110.4740	0.232	2	110.4740	0.054	2	111.0436	0.934	7	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	109.5350	0.000	1	111.3140	1.535	4	111.0436	0.934	7	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	111.9070	0.439	3	111.3140	1.535	4	111.0436	0.934	7	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	111.2145	0.189	2	111.5238	0.146	4	111.6916	0.156	16	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	111.8330	0.140	2	111.5238	0.146	4	111.6916	0.156	16	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ir)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ir){1|H<1>,2|C<3>}	111.3005	0.179	2	111.3005	0.032	2	111.6916	0.156	16	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ru)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ru){1|H<1>,2|C<3>}	111.4375	0.672	2	111.4375	0.452	2	111.6916	0.156	16	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	112.2280	0.235	2	111.9369	0.055	8	111.6916	0.156	16	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Rh<7>,1|H<1>,2|C<3>}	111.8398	0.143	6	111.9369	0.055	8	111.6916	0.156	16	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.3190	0.000	1	109.3190	0.000	1	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H){1|H<1>,4|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH){2|H<1>,3|C<4>}	109.0110	0.000	1	109.0110	0.000	1	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.4350	0.000	1	109.4668	0.412	4	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	110.3840	0.000	1	109.4668	0.412	4	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	109.0240	0.021	2	109.4668	0.412	4	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH){1|Pt<4>,1|H<1>,2|C<3>}	110.8606	0.492	8	110.8606	0.242	8	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	110.4015	0.064	2	110.4145	0.043	6	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	110.4350	0.322	2	110.4145	0.043	6	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	110.4070	0.324	2	110.4145	0.043	6	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	111.1182	0.734	6	111.1182	0.538	6	110.4722	0.683	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,2|C<3>}	110.0067	0.374	3	110.0067	0.140	3	109.8335	0.074	8	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Rh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Rh){1|H<1>,2|C<3>}	109.8100	0.045	2	109.8100	0.002	2	109.8335	0.074	8	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Pd)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Pd){1|H<1>,2|C<3>}	109.5790	0.113	2	109.5790	0.013	2	109.8335	0.074	8	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Rh)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Rh){1|H<1>,2|C<3>}	109.8700	0.000	1	109.8700	0.000	1	109.8335	0.074	8	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	108.8720	0.000	1	108.8720	0.000	1	109.1640	0.171	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	109.4560	0.000	1	109.4560	0.000	1	109.1640	0.171	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH){1|Br<1>,1|H<1>,2|C<3>}	108.7130	0.000	1	108.7130	0.000	1	109.3280	1.186	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>,2|C<3>}	108.1090	0.000	1	108.1090	0.000	1	109.3280	1.186	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(Br){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	110.2450	0.109	2	110.2450	0.012	2	109.3280	1.186	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3){2|C<3>,2|H<1>}	111.6050	0.000	1	111.6050	0.000	1	112.0054	0.175	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	112.4500	0.038	2	112.4500	0.001	2	112.0054	0.175	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ir)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ir){1|H<1>,2|C<3>}	111.6550	0.000	1	111.6550	0.000	1	112.0054	0.175	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ru)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ru){1|H<1>,2|C<3>}	111.8670	0.000	1	111.8670	0.000	1	112.0054	0.175	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.9910	0.000	1	111.9910	0.000	1	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.3990	0.000	1	110.4715	0.011	2	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	110.5440	0.000	1	110.4715	0.011	2	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){2|C<3>,2|H<1>}	111.4407	0.040	3	111.4407	0.002	3	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	110.1953	0.076	3	110.1953	0.006	3	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	110.3880	0.028	2	110.2873	0.031	3	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	110.0860	0.000	1	110.2873	0.031	3	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	110.5770	0.000	1	110.5770	0.000	1	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	109.6780	0.000	1	109.9325	0.130	2	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	110.1870	0.000	1	109.9325	0.130	2	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.8210	0.000	1	110.2263	0.158	10	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	110.1602	0.359	9	110.2263	0.158	10	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN){2|C<3>,2|H<1>}	109.9130	0.000	1	109.9130	0.000	1	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	109.7110	0.089	3	109.7110	0.008	3	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	110.5730	0.000	1	110.5730	0.000	1	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	109.5090	0.000	1	109.5090	0.000	1	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	111.1400	0.000	1	111.1400	0.000	1	110.3649	0.367	32	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<2>,1|H<1>,2|C<3>}	111.4150	0.000	1	111.2777	0.342	9	111.1351	1.651	17	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<4>,1|H<1>,2|C<3>}	112.0590	0.000	1	111.2777	0.342	9	111.1351	1.651	17	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	111.5237	0.604	3	111.2777	0.342	9	111.1351	1.651	17	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	110.8635	0.414	4	111.2777	0.342	9	111.1351	1.651	17	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,1|P<4>,2|C<3>}	115.4780	0.000	1	115.4780	0.000	1	111.1351	1.651	17	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO){2|C<3>,2|H<1>}	110.3328	0.149	6	110.3328	0.022	6	111.1351	1.651	17	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3){2|C<3>,2|H<1>}	110.3230	0.000	1	110.3230	0.000	1	111.1351	1.651	17	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	110.0170	0.000	1	109.8070	0.088	2	109.6189	0.095	9	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<2>,2|H<1>}	109.5970	0.000	1	109.8070	0.088	2	109.6189	0.095	9	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	109.7002	0.109	4	109.7002	0.012	4	109.6189	0.095	9	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	109.1455	0.168	2	109.3850	0.186	3	109.6189	0.095	9	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	109.8640	0.000	1	109.3850	0.186	3	109.6189	0.095	9	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(Br){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>}	107.4220	0.000	1	107.4220	0.000	1	107.5165	0.018	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>}	107.6110	0.000	1	107.6110	0.000	1	107.5165	0.018	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br){1|C<3>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	107.3430	0.262	2	107.0523	0.288	3	107.0523	0.288	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(Br){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	106.4710	0.000	1	107.0523	0.288	3	107.0523	0.288	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]B)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]B)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|B<4>,1|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO){2|C<3>,2|H<1>}	110.5455	0.042	2	110.5455	0.002	2	110.5455	0.002	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	108.8715	0.535	2	108.8715	0.287	2	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	109.3900	0.411	3	109.3900	0.169	3	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	108.1620	0.000	1	108.1620	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CC3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	108.6920	0.260	4	108.6920	0.068	4	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CC3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	109.0710	0.000	1	109.0710	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	108.2570	0.000	1	108.2570	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	108.5540	0.000	1	108.5540	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	108.9975	0.458	4	109.1682	0.303	5	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	109.8510	0.000	1	109.1682	0.303	5	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	108.8526	0.405	9	108.8007	0.154	12	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	108.6450	0.375	3	108.8007	0.154	12	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH){2|H<1>}	108.8640	0.000	1	108.8640	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	108.0070	0.000	1	108.0070	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	109.2043	0.178	4	108.7637	0.265	9	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	108.4112	0.396	5	108.7637	0.265	9	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	109.2754	0.467	40	109.0754	0.436	49	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	108.1869	0.679	9	109.0754	0.436	49	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	106.9280	0.000	1	106.9280	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	108.7805	0.080	2	108.7805	0.006	2	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH){2|H<1>,2|N<3>}	108.1980	0.000	1	108.1980	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	108.7230	0.000	1	108.3419	0.399	8	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	107.0910	0.000	1	108.3419	0.399	8	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	108.3634	0.353	5	108.3419	0.399	8	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	109.1040	0.000	1	108.3419	0.399	8	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	108.5320	0.000	1	109.2267	0.541	4	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|O<2>,2|H<1>}	109.9190	0.000	1	109.2267	0.541	4	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	109.2280	0.813	2	109.2267	0.541	4	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	108.8230	0.359	4	108.8230	0.129	4	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	108.8974	0.225	5	108.8974	0.051	5	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3){2|H<1>}	110.5460	0.163	2	110.5460	0.026	2	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CCHH){2|H<1>}	108.4960	0.909	10	108.4960	0.826	10	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CC[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6]HH){2|H<1>}	108.1855	0.115	2	108.1855	0.013	2	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|H<1>}	108.2725	0.338	6	108.2725	0.114	6	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Ir)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>}	C[5a](C[5a]C[5a]Ir)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Ir<8>,1|H<1>}	109.4980	0.194	3	109.4980	0.038	3	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Pd)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|Pd<4>,1|C<3>}	C[5a](C[5a]C[5a]Pd)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	111.8200	0.000	1	111.8200	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<6>,1|H<1>}	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(C[5a]N[5a]H)(H){1|C<4>,1|C<6>,1|H<1>,4|B<6>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<6>,1|H<1>}	108.6140	0.000	1	108.6140	0.000	1	108.8836	0.520	140	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)(NPdCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|N<4>,1|P<4>}	N[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)(NPdCC){2|C<3>,2|H<1>}	107.4590	0.000	2	107.4590	0.000	2	107.4590	0.000	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co){2|H<1>}	108.0998	0.775	8	108.0998	0.600	8	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Fe){2|H<1>}	107.7570	0.397	2	107.7570	0.158	2	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni){2|H<1>}	109.1090	0.160	2	109.1090	0.026	2	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Pd){2|H<1>}	109.5990	0.000	1	109.5990	0.000	1	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Rh){2|H<1>}	109.9770	0.164	2	109.9770	0.027	2	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co){2|H<1>}	108.2810	0.000	1	108.2810	0.000	1	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Rh){2|H<1>}	109.1723	0.334	7	109.1723	0.111	7	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PPdNN)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PPdNN){2|H<1>}	109.5130	0.000	1	109.5130	0.000	1	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC){2|H<1>}	108.3925	0.146	2	108.8195	0.374	4	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC){2|H<1>}	109.2465	0.609	2	108.8195	0.374	4	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PCuCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PCuCC){2|H<1>}	108.8420	0.000	1	108.8420	0.000	1	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PNiCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PNiCC){2|H<1>}	108.7443	0.325	3	108.7443	0.106	3	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPdCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPdCC){2|H<1>}	108.5310	0.000	1	108.5310	0.000	1	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPtCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPtCC){2|H<1>}	108.7000	0.000	1	108.7000	0.000	1	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|P<4>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr){2|H<1>}	108.8900	0.411	3	108.5256	0.409	5	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|S<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|P<4>,1|S<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr){2|H<1>}	107.9790	0.550	2	108.5256	0.409	5	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PC[6]2Ru)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PC[6]2Ru){2|H<1>}	108.6685	0.995	2	108.6685	0.990	2	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PC[6a]2B)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PC[6a]2B){2|H<1>}	109.1088	2.154	4	109.1088	4.639	4	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5]2Fe){2|H<1>}	108.4835	0.349	2	108.4835	0.122	2	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Co){2|H<1>}	108.2357	0.970	27	108.2357	0.940	27	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Cr)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Cr){2|H<1>}	108.6251	0.414	8	108.6251	0.172	8	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Ir)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Ir){2|H<1>}	107.9215	0.668	22	107.9215	0.446	22	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2N)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2N){2|H<1>}	108.2822	0.573	6	108.2822	0.329	6	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd){2|H<1>}	108.1372	0.791	6	108.1372	0.626	6	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh){2|H<1>}	108.3269	0.450	41	108.3269	0.202	41	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Ru)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Ru){2|H<1>}	108.2003	0.331	6	108.2003	0.110	6	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]PdC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]PdC){2|H<1>}	108.6078	0.322	12	108.6078	0.104	12	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]PtC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]PtC){2|H<1>}	107.8653	0.240	4	107.8653	0.058	4	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]RhC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]RhC){2|H<1>}	108.5394	0.368	47	108.5394	0.135	47	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]RuC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]RuC){2|H<1>}	108.5957	2.307	4	108.5957	5.320	4	108.4186	0.536	230	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	108.0250	0.000	1	108.0250	0.000	1	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>}	107.2610	0.000	1	107.2610	0.000	1	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|H<1>}	108.7910	0.000	1	108.7910	0.000	1	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|H<1>}	107.5650	0.000	1	107.5650	0.000	1	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	108.0660	0.000	1	107.8772	0.074	5	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	108.2000	0.000	1	107.8772	0.074	5	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	107.7067	0.186	3	107.8772	0.074	5	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){2|H<1>}	107.4170	0.235	2	107.4170	0.055	2	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|H<1>,1|S<4>}	107.7080	0.000	1	107.7080	0.000	1	107.7975	0.187	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	110.0515	0.249	6	110.0515	0.062	6	110.0641	0.050	8	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	B[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	110.1020	0.199	2	110.1020	0.040	2	110.0641	0.050	8	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>}	107.6750	0.000	1	107.6750	0.000	1	107.5482	0.144	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH){1|C<4>,1|H<1>}	107.0190	0.000	1	107.0190	0.000	1	107.5482	0.144	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){2|H<1>}	107.7495	0.237	2	107.7495	0.056	2	107.5482	0.144	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|C<3>}	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	107.6000	0.000	1	107.6000	0.000	1	108.3424	1.849	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|S<2>}	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	107.2495	0.013	2	107.2495	0.000	2	108.3424	1.849	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|N<2>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	109.5160	0.000	1	109.5160	0.000	1	108.3424	1.849	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.0970	0.000	1	110.0970	0.000	1	108.3424	1.849	5	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	108.0960	0.000	1	107.2531	0.224	10	107.2531	0.224	10	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	107.2170	0.123	2	107.2531	0.224	10	107.2531	0.224	10	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.4260	0.682	2	107.2531	0.224	10	107.2531	0.224	10	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	107.5880	0.000	1	107.2531	0.224	10	107.2531	0.224	10	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.9560	0.033	2	107.2531	0.224	10	107.2531	0.224	10	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	106.8245	0.322	2	107.2531	0.224	10	107.2531	0.224	10	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	108.9640	0.000	1	109.3073	0.128	3	109.3073	0.128	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<2>,1|H<1>,2|C<3>}	109.6780	0.000	1	109.3073	0.128	3	109.3073	0.128	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	109.2800	0.000	1	109.3073	0.128	3	109.3073	0.128	3	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:I-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|I<1>,3|C<3>}	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a,6a]-3:C[5a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H)	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H){2|B<4>}	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	107.5255	0.186	2	107.5255	0.035	2	107.5255	0.035	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	108.7870	0.317	2	108.7870	0.100	2	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<3>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	108.6370	0.031	2	106.8294	0.720	14	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<3>,1|B<4>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	106.9440	0.000	1	106.8294	0.720	14	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	107.0960	0.000	1	106.8294	0.720	14	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|P<3>}	107.2860	0.000	1	106.8294	0.720	14	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	106.3384	0.234	7	106.8294	0.720	14	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|P<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	106.3060	0.000	1	106.8294	0.720	14	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|B<4>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	106.3360	0.000	1	106.8294	0.720	14	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|Ge<3>,1|B<4>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	107.4055	0.438	2	107.4055	0.192	2	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	109.0590	0.000	1	109.0590	0.000	1	107.2134	1.120	19	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]Cd)(C[5a]N[5a]H)(O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|Cd<4>,1|N<3>}	C[5a](N[5a]C[5a]Cd)(C[5a]N[5a]H)(O){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|Cd<4>,1|O<1>}	101.8400	0.000	1	101.8400	0.000	1	101.8400	0.000	1	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(I){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(I){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	105.6730	0.000	1	105.6730	0.000	1	106.5985	1.713	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|N<3>,1|S<4>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	107.5240	0.000	1	107.5240	0.000	1	106.5985	1.713	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]2C)	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]2C){1|Pd<4>,1|H<1>,2|C<3>}	111.5980	0.338	2	111.5980	0.114	2	111.6670	0.080	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]3)	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]3){1|Pd<4>,1|H<1>,2|C<3>}	111.8030	0.426	2	111.8030	0.181	2	111.6670	0.080	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]CC)	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]CC){1|Pd<4>,1|H<1>,2|C<3>}	111.9095	0.381	2	111.9095	0.145	2	111.6670	0.080	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC)	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Cl<1>,1|Si<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC){1|H<1>,2|C<3>}	111.8690	0.000	1	111.5638	0.043	6	111.6670	0.080	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC)	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC){1|H<1>,2|C<3>}	111.5028	0.162	5	111.5638	0.043	6	111.6670	0.080	12	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.9720	0.000	1	108.9720	0.000	1	108.9720	0.000	1	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C){1|H<1>,2|C<3>}	111.3007	0.244	6	111.3007	0.060	6	111.2823	0.081	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2Cl)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2Cl){1|H<1>,2|C<3>}	111.3713	0.330	3	111.3713	0.109	3	111.2823	0.081	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]3)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]3){1|H<1>,2|C<3>}	111.1709	0.293	13	111.1709	0.086	13	111.2823	0.081	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]CC)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]CC){1|H<1>,2|C<3>}	111.5498	0.042	4	111.5498	0.002	4	111.2823	0.081	26	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(SiC3){1|C<3>,1|H<1>}	110.0810	0.000	1	110.0810	0.000	1	110.1855	0.020	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SiC[5]CC)	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|Si<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SiC[5]CC){2|H<1>}	110.1780	0.188	2	110.1780	0.035	2	110.1855	0.020	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|Si<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SiC3){1|H<1>,1|N<3>}	110.3050	0.000	1	110.3050	0.000	1	110.1855	0.020	4	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]I)(H)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(I)	N[5a](C[5a]C[5a]H)2(SiC3)	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]I)(H){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(I){1|Si<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SiC3){2|I<1>}	109.3885	0.682	2	109.3885	0.466	2	109.3885	0.466	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H)	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H){1|Mo<6>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H){1|Mo<6>,1|C<4>}	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	114.9325	1.109	6	114.9325	1.230	6	114.9325	1.230	6	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H)	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]Ru)(C[5a]C[5a]H)(CC3)	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H){1|Ru<5>,1|C<4>}	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H){1|Ru<5>,1|C<4>}	N[5a](Si[5a]N[5a]Ru)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	114.2965	0.371	2	114.2965	0.138	2	114.2965	0.138	2	109.1786	2.343	634	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:5:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-5:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	111.3885	0.341	10	111.3885	0.116	10	111.6986	0.372	14	111.8176	0.346	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:5:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-5:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]RhCH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]RhCH){1|H<1>,2|C<3>}	112.4737	0.379	4	112.4737	0.144	4	111.6986	0.372	14	111.8176	0.346	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:5:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-5:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2RuH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	112.1510	0.397	5	112.1510	0.158	5	112.1510	0.158	5	111.8176	0.346	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a]){2|H<1>}	106.1120	0.000	1	106.1120	0.000	1	106.1120	0.000	1	107.3812	1.110	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:B-4:N[5a]-2:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)2(I)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(I){1|B<4>}	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a]){1|H<1>,1|I<1>}	109.6830	0.000	1	109.6830	0.000	1	109.6830	0.000	1	107.3812	1.110	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	107.3020	0.000	2	107.3020	0.000	2	107.3020	0.000	2	107.3812	1.110	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a]){2|C<4>,6|H<1>}	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	107.3812	1.110	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|O<1>,2|C<4>,4|H<1>}	107.4340	0.000	1	107.2103	0.314	3	107.2103	0.314	3	107.3812	1.110	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,2|C<4>,5|H<1>}	106.5730	0.000	1	107.2103	0.314	3	107.2103	0.314	3	107.3812	1.110	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,3|H<1>,4|C<4>}	107.6240	0.000	1	107.2103	0.314	3	107.2103	0.314	3	107.3812	1.110	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	112.2578	0.129	4	111.9762	0.229	6	111.9762	0.229	6	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	111.4130	0.382	2	111.9762	0.229	6	111.9762	0.229	6	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Br){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(Cl){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.5750	0.000	1	107.5283	0.009	3	107.5283	0.009	3	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	107.5900	0.000	1	107.5283	0.009	3	107.5283	0.009	3	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:F-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(F){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	107.4200	0.000	1	107.5283	0.009	3	107.5283	0.009	3	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	109.8470	0.236	2	109.8470	0.056	2	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	110.0240	0.000	1	110.0240	0.000	1	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|S<4>,4|C<3>,4|H<1>}	110.5960	0.000	1	110.5960	0.000	1	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	110.8450	0.000	1	109.8915	0.276	6	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	109.7840	0.156	2	109.8915	0.276	6	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	109.2430	0.000	1	109.8915	0.276	6	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.8590	0.000	1	109.8915	0.276	6	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	109.8340	0.000	1	109.8915	0.276	6	109.9663	0.211	10	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	109.7960	0.000	1	109.7960	0.000	1	109.5517	0.059	4	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|I<1>,2|C<3>,2|C<4>}	109.2290	0.000	1	109.4703	0.049	3	109.5517	0.059	4	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	109.5160	0.000	1	109.4703	0.049	3	109.5517	0.059	4	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	109.6660	0.000	1	109.4703	0.049	3	109.5517	0.059	4	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|O<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	108.1290	0.000	1	108.4465	0.202	2	108.4465	0.202	2	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|O<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	108.7640	0.000	1	108.4465	0.202	2	108.4465	0.202	2	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|O<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	108.7280	0.000	1	108.4850	0.118	2	108.4850	0.118	2	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|O<1>,2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	108.2420	0.000	1	108.4850	0.118	2	108.4850	0.118	2	109.7933	2.024	29	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:5:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B-5:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]RuH)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]RuH)(C[5a]C[5a]H){1|H<1>,2|C<3>}	111.5795	0.260	4	111.5795	0.068	4	111.5795	0.068	4	111.5795	0.068	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	108.7320	0.529	3	108.7320	0.280	3	108.3318	0.942	33	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	108.1800	0.236	2	108.1800	0.056	2	108.3318	0.942	33	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|B<4>}	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	109.0192	0.469	6	109.0192	0.220	6	108.3318	0.942	33	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H){1|Fe<10>,1|B<4>,2|C<4>}	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	108.6797	0.221	3	108.6797	0.049	3	108.3318	0.942	33	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	108.0365	1.150	18	108.0365	1.322	18	108.3318	0.942	33	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	107.5820	0.000	1	107.5820	0.000	1	108.3318	0.942	33	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	106.4040	0.441	2	106.4040	0.195	2	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	107.1410	0.448	2	107.1410	0.201	2	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	107.0015	0.170	2	107.0015	0.029	2	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	106.9070	0.142	4	106.9070	0.020	4	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	105.9810	0.000	1	105.9810	0.000	1	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	106.8320	1.035	20	106.8320	1.072	20	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	106.8353	0.355	49	106.8353	0.126	49	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	106.7550	0.281	2	106.7550	0.079	2	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	106.6299	0.501	8	106.6299	0.251	8	106.8091	0.341	90	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]B[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]B[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|N<4>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.5315	1.074	2	107.5315	1.154	2	107.5315	1.154	2	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	108.6525	0.254	2	108.6525	0.064	2	108.5871	0.721	10	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	108.5780	0.078	2	108.5780	0.006	2	108.5871	0.721	10	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,3|N<3>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	108.7608	1.348	4	108.7608	1.818	4	108.5871	0.721	10	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|N<3>}	C[5a](C[5a]N[5a]H)2(H){1|B<4>}	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	108.1835	0.712	2	108.1835	0.507	2	108.5871	0.721	10	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H){1|C<4>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	107.5010	0.240	2	107.5010	0.058	2	107.3956	0.477	5	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H){1|C<4>}	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	108.1820	0.000	1	108.1820	0.000	1	107.3956	0.477	5	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	106.8970	0.843	2	106.8970	0.710	2	107.3956	0.477	5	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	107.3630	0.000	1	107.3630	0.000	1	106.2885	2.309	2	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]H)2(H){1|C<4>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	105.2140	0.000	1	105.2140	0.000	1	106.2885	2.309	2	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]O)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(C[5a]O[5a]O)(H){1|C<4>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|P<4>}	107.3525	0.689	2	107.3525	0.475	2	107.3525	0.475	2	107.3401	1.143	145	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	P-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](PN[5a]N[5]Rh)(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](PN[5a]N[5]Rh)(C[5a]C[5a]H)2{2|H<1>}	108.2450	0.957	4	108.2450	0.915	4	108.2450	0.915	4	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	108.8790	0.831	4	108.8790	0.690	4	108.4303	0.381	12	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){2|C<4>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.9930	0.000	1	108.9930	0.000	1	108.4303	0.381	12	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.1060	0.198	2	108.1060	0.039	2	108.4303	0.381	12	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.0288	0.177	4	108.0288	0.031	4	108.4303	0.381	12	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>,4|C<3>}	108.3280	0.000	1	108.3280	0.000	1	108.4303	0.381	12	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	108.0405	0.872	2	108.0405	0.760	2	108.0405	0.760	2	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[6]C[6]2Re)(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|Re<12>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[6]C[6]2Re)(C[5a]C[5a]H)2{2|C<4>,4|H<1>}	107.8705	0.071	2	107.8705	0.005	2	107.8705	0.005	2	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Ge[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](Ge[5]N[5]2O)(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H){1|O<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|Ge<4>,1|H<1>}	N[5a](Ge[5]N[5]2O)(C[5a]C[5a]H)2{2|C<3>,2|C<4>,2|H<1>}	108.4360	1.228	2	108.4360	1.507	2	108.7507	0.409	6	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Ge[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](Ge[5]N[5]2S)(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H){1|S<1>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|Ge<4>,1|H<1>}	N[5a](Ge[5]N[5]2S)(C[5a]C[5a]H)2{2|C<3>,2|C<4>,2|H<1>}	108.9080	0.283	4	108.9080	0.080	4	108.7507	0.409	6	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Si[4]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H){1|Pd<3>,1|C<4>,1|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|Si<4>,1|C<4>}	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	109.9080	0.000	1	109.6860	0.099	2	109.6860	0.099	2	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Si[4]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|Si<4>,1|C<4>}	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	109.4640	0.000	1	109.6860	0.099	2	109.6860	0.099	2	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){2|Cl<1>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){2|Cl<1>,3|C<3>}	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	110.5005	0.706	2	110.5005	0.499	2	110.5005	0.499	2	108.6281	0.779	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	5:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	P[5]-5:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)2(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|O<2>}	C[5a](C[5a]N[5a]H)2(H){1|P<5>}	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	5:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	Ge[4,5]-5:C[5a]-3:C[5a]-3:	C[5a](N[5a]Ge[4,5]C[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2	C[5a](N[5a]Ge[4,5]C[5a])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>,2|O<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|Ge<5>,1|H<1>}	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2{1|Ge<5>,2|C<3>,2|C<4>,2|H<1>}	109.6050	0.373	2	109.6050	0.139	2	109.6050	0.139	2	109.6050	0.139	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	6:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a]C[5a,6a]H)(H){1|C<6>,2|C<3>,4|B<6>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|B<6>,1|H<1>,2|C<3>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<6>,2|C<3>,4|B<6>,7|H<1>}	111.1545	1.156	2	111.1545	1.337	2	111.1545	1.337	2	111.1545	1.337	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(CC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(CC){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	107.4940	0.405	4	107.4940	0.164	4	107.4940	0.164	4	107.3438	0.236	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|Cl<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NC){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Cl<1>,1|N<2>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	107.3438	0.236	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6]){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|S<2>}	108.2000	0.000	1	108.2000	0.000	1	107.7060	0.190	3	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6a]){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|S<2>}	107.4590	0.119	2	107.4590	0.014	2	107.7060	0.190	3	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC){1|C<3>}	105.3980	0.000	1	105.3980	0.000	1	104.8420	0.570	7	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF){1|C<3>}	103.2620	0.000	1	103.2620	0.000	1	104.8420	0.570	7	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH){1|C<3>}	104.5160	0.000	1	104.5160	0.000	1	104.8420	0.570	7	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<3>}	105.1250	0.095	3	105.1250	0.009	3	104.8420	0.570	7	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>}	105.3430	0.000	1	105.3430	0.000	1	104.8420	0.570	7	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	105.4990	0.000	1	105.4990	0.000	1	105.4990	0.000	1	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a]){5|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	104.4410	0.448	2	104.4410	0.201	2	104.4410	0.201	2	105.4918	1.990	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br){2|C<3>}	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	105.6790	0.000	1	105.6790	0.000	1	105.6790	0.000	1	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.7193	0.810	3	104.7193	0.656	3	104.7193	0.656	3	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	108.7210	0.000	1	108.7210	0.000	1	108.4050	0.200	2	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN){1|B<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	108.0890	0.000	1	108.0890	0.000	1	108.4050	0.200	2	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(NN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(NN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.3800	0.000	1	105.3800	0.000	1	105.3800	0.000	1	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>}	104.0950	0.000	1	104.0950	0.000	1	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	104.8948	0.368	4	104.8948	0.135	4	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	104.4220	0.279	2	105.3643	0.381	30	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	105.4970	0.000	1	105.3643	0.381	30	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	105.4291	0.591	27	105.3643	0.381	30	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH){1|C<3>}	106.0630	0.000	1	106.0630	0.000	1	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	105.0930	0.291	5	105.0930	0.084	5	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	105.6460	0.000	1	105.6460	0.000	1	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	105.4168	0.883	6	105.4168	0.780	6	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC){1|C<3>}	104.3380	0.000	1	104.3380	0.000	1	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	105.1040	0.301	2	105.1040	0.091	2	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.4900	0.000	1	105.2576	0.239	32	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.5580	0.092	2	105.2576	0.239	32	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.8120	1.153	2	105.2576	0.239	32	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.6295	0.180	2	105.2576	0.239	32	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.3137	0.391	24	105.2576	0.239	32	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.2260	0.000	1	105.2576	0.239	32	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	105.2660	0.000	1	105.2660	0.000	1	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS){1|C<3>}	105.7360	0.000	1	105.7360	0.000	1	105.2714	0.329	85	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	105.7680	0.000	1	105.7680	0.000	1	105.0002	0.273	27	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.2300	0.000	1	105.2300	0.000	1	105.0002	0.273	27	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	106.0450	0.000	1	106.0450	0.000	1	105.0002	0.273	27	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	105.1428	0.448	4	105.1428	0.201	4	105.0002	0.273	27	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	104.2360	0.000	1	104.2360	0.000	1	105.0002	0.273	27	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.9835	0.422	17	104.9835	0.178	17	105.0002	0.273	27	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	104.2180	0.064	2	104.2180	0.004	2	105.0002	0.273	27	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){2|C<3>}	C[5a](N[5]C[5,6a]C[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	104.3230	0.000	1	104.3230	0.000	1	104.4870	0.054	2	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	C[5a](N[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	104.6510	0.000	1	104.6510	0.000	1	104.4870	0.054	2	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF){1|C<3>}	104.4160	0.000	1	104.4160	0.000	1	104.8222	0.207	4	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.7045	0.131	2	104.7045	0.017	2	104.8222	0.207	4	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS){1|C<3>}	105.4640	0.000	1	105.4640	0.000	1	104.8222	0.207	4	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O){1|N<2>}	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|C<4>}	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	105.2768	0.658	127	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	107.6780	0.000	1	107.6780	0.000	1	106.4350	1.299	3	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	105.8135	0.530	2	105.8135	0.281	2	106.4350	1.299	3	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<2>,2|C<3>}	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	109.7185	0.164	4	109.7185	0.027	4	109.7185	0.027	4	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	109.2540	0.313	2	109.5567	0.324	3	109.9226	0.439	12	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|S<2>,3|C<3>}	110.1620	0.000	1	109.5567	0.324	3	109.9226	0.439	12	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	109.9850	0.000	1	109.9850	0.000	1	109.9226	0.439	12	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	109.6402	0.263	5	109.6402	0.069	5	109.9226	0.439	12	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	110.8060	1.039	2	110.8060	1.080	2	109.9226	0.439	12	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|S<2>,2|N<2>}	110.6030	0.000	1	110.6030	0.000	1	109.9226	0.439	12	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Se-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	110.5560	0.000	1	110.5560	0.000	1	110.0953	0.326	3	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Se-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SeC[6a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	109.8650	0.577	2	109.8650	0.333	2	110.0953	0.326	3	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<2>,1|C<3>}	108.3120	0.000	1	108.3120	0.000	1	108.0200	0.074	4	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<2>,1|C<3>}	107.9227	0.232	3	107.9227	0.054	3	108.0200	0.074	4	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	106.1920	0.368	3	106.1920	0.136	3	106.2980	0.095	5	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H){1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	106.4570	0.154	2	106.4570	0.024	2	106.2980	0.095	5	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(OC)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,3|O<2>}	108.4730	0.515	2	108.4730	0.265	2	108.4730	0.265	2	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	106.3637	0.127	3	106.3637	0.016	3	106.3627	0.081	7	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	106.5087	0.314	3	106.5087	0.099	3	106.3627	0.081	7	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	105.9220	0.000	1	105.9220	0.000	1	106.3627	0.081	7	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN){2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<2>,1|N<3>}	105.6550	0.576	2	105.6550	0.331	2	105.9707	0.465	3	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<2>,1|N<3>}	106.6020	0.000	1	106.6020	0.000	1	105.9707	0.465	3	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC){2|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|C<2>,1|H<1>}	104.0040	0.000	1	104.0040	0.000	1	104.2057	0.021	4	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CN)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CN){2|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|C<2>,1|H<1>}	104.2730	0.070	3	104.2730	0.005	3	104.2057	0.021	4	107.8577	4.112	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br){4|C<3>}	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	106.0330	0.156	2	106.0330	0.024	2	106.0330	0.024	2	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	104.4390	0.000	1	105.0579	1.137	11	105.0579	1.137	11	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	104.7355	0.045	2	105.0579	1.137	11	105.0579	1.137	11	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.2159	1.229	8	105.0579	1.137	11	105.0579	1.137	11	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	105.5630	0.000	1	105.5140	0.005	2	105.1442	0.206	4	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	105.4650	0.000	1	105.5140	0.005	2	105.1442	0.206	4	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,3|C<3>}	104.9580	0.000	1	104.7745	0.067	2	105.1442	0.206	4	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){2|C<3>,2|N<2>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,2|C<3>}	104.5910	0.000	1	104.7745	0.067	2	105.1442	0.206	4	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]O)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]O)(H){3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6]){3|C<3>}	104.7260	0.000	1	104.7260	0.000	1	104.7260	0.000	1	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	106.2880	0.000	1	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	105.8830	0.000	1	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.6805	0.585	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	105.1230	0.179	3	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	104.4610	0.000	1	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.3690	0.065	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.8415	0.401	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.2060	0.171	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	105.8190	0.948	4	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.2890	0.614	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	105.9900	0.000	1	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.2210	0.000	1	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	105.3623	0.602	11	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	105.1550	0.214	9	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	105.5030	0.025	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	105.2995	0.077	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	104.9130	0.000	1	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	105.5345	0.193	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,4|C<3>}	105.1190	0.000	1	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|H<1>,3|C<3>}	104.9330	0.079	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|Br<1>,3|C<3>}	104.7630	0.098	2	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	104.7983	0.626	3	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.5604	0.481	35	105.4103	0.268	92	105.4103	0.268	92	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	104.7130	0.000	1	104.7130	0.000	1	104.7130	0.000	1	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<2>,3|C<3>}	105.0980	0.000	1	105.0980	0.000	1	105.0613	0.736	4	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	105.0490	1.050	3	105.0490	1.103	3	105.0613	0.736	4	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H){1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	104.0650	0.000	1	104.0650	0.000	1	104.0650	0.000	1	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.9530	0.000	1	105.9530	0.000	1	104.8813	0.211	18	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	104.7200	0.000	1	104.8183	0.149	17	104.8813	0.211	18	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.8244	0.397	16	104.8183	0.149	17	104.8813	0.211	18	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	105.4770	0.000	1	105.4770	0.000	1	105.4770	0.000	1	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	105.0135	0.307	6	104.8201	0.106	15	104.8201	0.106	15	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	104.8325	0.155	2	104.8201	0.106	15	104.8201	0.106	15	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	C[5a](C[5a]N[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	104.6507	0.307	7	104.8201	0.106	15	104.8201	0.106	15	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|P<4>,3|C<3>}	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.1665	0.360	2	105.1665	0.130	2	105.1665	0.130	2	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CC)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(CC){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[6a]){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	107.4600	0.332	2	107.4600	0.110	2	107.4600	0.110	2	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.3070	0.000	1	104.3070	0.000	1	104.3070	0.000	1	105.2653	0.435	156	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:Br-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])(Br)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])(Br){1|O<1>,4|C<3>}	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	109.2350	0.727	2	109.2350	0.528	2	109.2350	0.528	2	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6]){1|Br<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	109.1690	0.130	2	108.8323	0.348	3	108.8323	0.348	3	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(OC[6]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	108.1590	0.000	1	108.8323	0.348	3	108.8323	0.348	3	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<2>,5|C<3>}	105.9490	0.000	1	105.9490	0.000	1	105.9490	0.000	1	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(O){1|S<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	109.3110	0.000	1	109.3110	0.000	1	109.3110	0.000	1	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.8980	0.668	4	109.8980	0.447	4	109.8980	0.447	4	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.8494	0.424	54	104.8494	0.179	54	104.8520	0.176	55	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.9930	0.000	1	104.9930	0.000	1	104.8520	0.176	55	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]O)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	104.3430	0.000	1	104.3430	0.000	1	104.3430	0.000	1	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	104.9680	0.313	3	104.9680	0.098	3	104.9680	0.098	3	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(O)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC)	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(O){1|Rh<6>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC){1|Rh<6>,3|C<3>}	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|C<3>}	104.3840	0.000	1	104.3840	0.000	1	104.3840	0.000	1	105.4973	2.745	71	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS)	N[5a](C[5a]C[5a]Cl)2(CC3)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|S<2>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)2(CC3){2|S<2>}	111.0090	0.079	2	111.0090	0.006	2	110.5880	0.227	6	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS)	N[5a](C[5a]C[5a]Cl)2(CH3)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|S<2>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)2(CH3){2|S<2>}	110.3775	0.445	4	110.3775	0.198	4	110.5880	0.227	6	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H){1|C<4>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	109.0270	0.168	2	109.0270	0.028	2	109.0270	0.028	2	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NC[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NC[5]){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	110.1680	0.000	1	110.1680	0.000	1	110.1390	0.002	2	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	110.1100	0.000	1	110.1100	0.000	1	110.1390	0.002	2	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|S<2>,2|C<3>}	109.4910	0.000	1	109.4910	0.000	1	110.0075	0.227	4	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	109.8240	0.000	1	109.8240	0.000	1	110.0075	0.227	4	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	110.0960	0.000	1	110.0960	0.000	1	110.0075	0.227	4	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH){1|S<2>,2|C<3>}	110.6190	0.000	1	110.6190	0.000	1	110.0075	0.227	4	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	108.7887	0.032	3	108.6962	0.018	5	108.6962	0.018	5	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	108.5575	0.063	2	108.6962	0.018	5	108.6962	0.018	5	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]H)(CC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SNOO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|Si<4>,1|C<3>}	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]H)(CC){1|C<3>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SNOO){1|Si<4>,1|C<2>}	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Se-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]Se)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(SeC[6a])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]Se)(N[5a]C[5a]S)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(SeC[6a]){1|C<4>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Se<2>,1|C<3>}	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	106.4560	0.000	1	106.1220	0.223	2	106.5619	0.242	7	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	105.7880	0.000	1	106.1220	0.223	2	106.5619	0.242	7	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	106.7452	0.479	4	106.7452	0.229	4	106.5619	0.242	7	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	106.7080	0.000	1	106.7080	0.000	1	106.5619	0.242	7	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]S)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	106.1460	0.000	1	106.1460	0.000	1	106.1460	0.000	1	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SC)	N[5a](C[5a]C[5a]I)2(CH3)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I){1|I<1>,1|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SC){1|C<4>,1|I<1>}	N[5a](C[5a]C[5a]I)2(CH3){2|S<2>}	109.4360	0.540	2	109.4360	0.292	2	109.3865	0.117	4	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SS)	N[5a](C[5a]C[5a]I)2(CH3)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I){1|I<1>,1|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SS){1|C<4>,1|I<1>}	N[5a](C[5a]C[5a]I)2(CH3){2|S<2>}	109.3370	0.219	2	109.3370	0.048	2	109.3865	0.117	4	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(O)	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C[5a](C[5a]S[5a]C[5])(N[5a]C[5a]C)(O){1|S<1>,2|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<4>,1|S<2>}	105.3240	0.000	1	105.3240	0.000	1	105.3240	0.000	1	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CCHH){1|C<3>}	109.9466	0.415	10	109.9466	0.173	10	109.9380	0.178	13	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CC[6a]HH){1|C<3>}	109.8330	0.000	1	109.8330	0.000	1	109.9380	0.178	13	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(O){1|C<3>,1|S<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(CH3){1|C<3>}	109.9475	0.752	2	109.9475	0.565	2	109.9380	0.178	13	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(O){1|C<4>,1|S<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a]){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CH3){1|C<4>,1|N<2>}	105.1500	0.000	1	105.1500	0.000	1	105.1500	0.000	1	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:S-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a])	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S){1|C<3>,1|O<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|C<3>}	111.0907	0.790	4	111.0907	0.624	4	111.0907	0.624	4	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.1674	2.581	54	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	104.5750	0.000	1	104.5750	0.000	1	104.7710	0.077	2	104.9412	0.115	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a]){1|O<2>,3|C<3>,3|H<1>}	104.9670	0.000	1	104.9670	0.000	1	104.7710	0.077	2	104.9412	0.115	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	104.8350	0.000	1	105.1115	0.153	2	105.1115	0.153	2	104.9412	0.115	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.3880	0.000	1	105.1115	0.153	2	105.1115	0.153	2	104.9412	0.115	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	110.4570	0.000	1	110.1195	0.228	2	110.1195	0.228	2	109.7090	0.619	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	109.7820	0.000	1	110.1195	0.228	2	110.1195	0.228	2	109.7090	0.619	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H){1|Mo<10>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	109.7090	0.619	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	104.9230	0.000	1	104.9230	0.000	1	105.2321	0.339	8	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){5|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	104.9020	0.000	1	104.9020	0.000	1	105.2321	0.339	8	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5]2Mn)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Mn<8>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]2Mn)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	104.7540	0.000	1	104.7540	0.000	1	105.2321	0.339	8	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	105.0400	0.000	1	105.0400	0.000	1	105.2321	0.339	8	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	105.8567	0.456	3	105.8567	0.208	3	105.2321	0.339	8	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|N<2>,1|N<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	104.6680	0.000	1	104.6680	0.000	1	105.2321	0.339	8	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	105.6650	0.000	1	105.6650	0.000	1	105.6837	0.073	3	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.4230	0.000	1	105.6930	0.146	2	105.6837	0.073	3	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.9630	0.000	1	105.6930	0.146	2	105.6837	0.073	3	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	105.2095	0.282	4	105.2095	0.080	4	104.9916	0.336	9	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	106.0060	0.000	1	106.0060	0.000	1	104.9916	0.336	9	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	104.9000	0.000	1	104.9000	0.000	1	104.9916	0.336	9	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	104.3933	0.269	3	104.3933	0.072	3	104.9916	0.336	9	105.1916	0.332	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	106.9640	0.110	2	106.9640	0.012	2	107.2090	0.186	3	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNN){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	107.6990	0.000	1	107.6990	0.000	1	107.2090	0.186	3	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2){1|H<1>,2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	107.4480	0.000	1	107.4480	0.000	1	107.6582	0.356	4	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	108.5180	0.000	1	107.7283	0.504	3	107.6582	0.356	4	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.3335	0.271	2	107.7283	0.504	3	107.6582	0.356	4	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(C[5a]N[5a]N){1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	108.1160	0.000	1	107.6510	0.432	2	107.5049	0.259	8	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(C[5a]N[5a]N){1|N<2>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	107.1860	0.000	1	107.6510	0.432	2	107.5049	0.259	8	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2{1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.7640	0.244	3	107.7553	0.040	4	107.5049	0.259	8	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2{1|N<2>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.7290	0.000	1	107.7553	0.040	4	107.5049	0.259	8	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	107.1120	0.000	1	107.1120	0.000	1	107.5049	0.259	8	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2{1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.6040	0.000	1	106.6040	0.000	1	107.5049	0.259	8	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	107.0320	0.000	1	107.0320	0.000	1	107.3994	0.301	7	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.4607	0.574	6	107.4607	0.329	6	107.3994	0.301	7	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NOO){1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	105.6543	0.122	3	105.6543	0.015	3	105.6288	0.165	10	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NOO){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	105.4673	0.267	3	105.3252	0.128	4	105.6288	0.165	10	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NOO){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	104.8990	0.000	1	105.3252	0.128	4	105.6288	0.165	10	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	106.0080	0.365	3	106.0080	0.133	3	105.6288	0.165	10	106.8870	0.966	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|C<3>}	108.2190	0.000	1	108.2190	0.000	1	106.9818	0.785	9	106.4163	2.228	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	107.5960	0.000	1	107.5960	0.000	1	106.9818	0.785	9	106.4163	2.228	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	104.9440	0.000	1	104.9440	0.000	1	106.9818	0.785	9	106.4163	2.228	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|N<3>}	107.0913	0.208	4	107.0913	0.043	4	106.9818	0.785	9	106.4163	2.228	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	106.8560	0.098	2	106.8560	0.010	2	106.9818	0.785	9	106.4163	2.228	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NOO){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|N<3>}	103.8715	0.411	2	103.8715	0.169	2	103.8715	0.169	2	106.4163	2.228	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl){1|C<4>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN){1|C<4>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	108.7785	0.018	2	108.7785	0.000	2	108.7357	0.006	3	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl){1|C<4>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO){1|C<4>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	108.6500	0.000	1	108.6500	0.000	1	108.7357	0.006	3	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl){1|N<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]N)(NOO){1|C<4>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN){2|N<3>}	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	107.7710	0.000	1	107.7710	0.000	1	107.4078	0.240	6	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.6390	0.000	1	107.6390	0.000	1	107.4078	0.240	6	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	107.2520	0.000	1	107.2520	0.000	1	107.4078	0.240	6	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	106.5940	0.000	1	106.5940	0.000	1	107.4078	0.240	6	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNN){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	107.9550	0.000	1	107.9550	0.000	1	107.4078	0.240	6	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	107.2360	0.000	1	107.2360	0.000	1	107.4078	0.240	6	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.7540	0.257	2	107.7540	0.066	2	107.7540	0.066	2	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	108.2743	0.257	6	108.2743	0.066	6	108.1629	0.232	9	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	108.3995	0.190	2	108.3995	0.036	2	108.1629	0.232	9	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	107.0210	0.000	1	107.0210	0.000	1	108.1629	0.232	9	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(NCH){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	106.3420	0.000	1	106.3420	0.000	1	106.4993	0.812	8	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	106.2740	0.000	1	106.2740	0.000	1	106.4993	0.812	8	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(NCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(NCO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	107.5720	0.014	2	107.5720	0.000	2	106.4993	0.812	8	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(NCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(NCO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	107.1870	0.000	1	107.1870	0.000	1	106.4993	0.812	8	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	105.4080	0.614	2	105.4080	0.377	2	106.4993	0.812	8	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	106.2310	0.000	1	106.2310	0.000	1	106.4993	0.812	8	107.4986	0.964	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(Cl)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(Cl){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){2|C<3>}	111.0650	0.331	3	111.0650	0.110	3	111.0650	0.110	3	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|H<1>}	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCC)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCC){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Rh<5>,3|C<3>}	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	110.0890	0.000	1	110.0890	0.000	1	110.8692	0.619	5	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	111.6170	0.701	2	111.0643	0.571	4	110.8692	0.619	5	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Rh<5>,3|C<3>}	110.5115	0.004	2	111.0643	0.571	4	110.8692	0.619	5	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.0140	0.000	1	110.0140	0.000	1	109.9590	0.109	9	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.7180	0.000	1	110.1853	0.213	3	109.9590	0.109	9	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.9190	0.000	2	110.1853	0.213	3	109.9590	0.109	9	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.8122	0.213	5	109.8122	0.046	5	109.9590	0.109	9	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,1|O<1>,2|C<3>}	110.3320	0.000	1	110.3320	0.000	1	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	110.6360	0.000	1	110.6360	0.000	1	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2107	0.460	21	110.2107	0.212	21	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.5620	0.221	6	110.5620	0.049	6	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.6520	0.000	1	110.1721	0.126	18	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2400	0.000	1	110.1721	0.126	18	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.1378	0.355	16	110.1721	0.126	18	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.1820	0.000	1	109.1820	0.000	1	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.0020	0.082	2	110.0020	0.007	2	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2587	0.466	3	110.2587	0.217	3	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.1025	0.127	2	110.1025	0.016	2	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2530	0.000	1	110.2530	0.000	1	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.3610	0.127	2	110.3610	0.016	2	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.8230	0.000	1	109.8230	0.000	1	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.5230	0.000	1	110.5230	0.000	1	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.6560	0.205	3	110.6560	0.042	3	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.7880	0.116	3	109.7880	0.014	3	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.1363	0.398	57	110.1363	0.159	57	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.5138	0.449	4	110.5138	0.202	4	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.6640	0.378	2	109.6640	0.143	2	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2815	0.057	2	109.9841	0.130	11	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.9180	0.367	9	109.9841	0.130	11	110.1690	0.168	140	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.9100	0.000	1	110.0707	0.347	9	110.0366	0.320	10	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.7920	0.000	1	110.0707	0.347	9	110.0366	0.320	10	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.4920	0.000	1	110.0707	0.347	9	110.0366	0.320	10	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.1785	0.378	2	110.0707	0.347	9	110.0366	0.320	10	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2712	0.229	4	110.0707	0.347	9	110.0366	0.320	10	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<3>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.7300	0.000	1	109.7300	0.000	1	110.0366	0.320	10	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.8530	0.000	1	109.8530	0.000	1	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a,6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a,6])(C[5a]N[5a]H){1|B<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.4660	0.000	1	110.4660	0.000	1	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	111.2080	0.000	1	111.2080	0.000	1	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.3050	0.000	1	110.2351	0.047	7	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2898	0.188	5	110.2351	0.047	7	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.8920	0.000	1	110.2351	0.047	7	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.3475	0.774	2	110.3475	0.600	2	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]N[5a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.3950	0.058	2	110.3950	0.003	2	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(C[5a]N[5a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2200	0.000	1	110.2200	0.000	1	110.3252	0.142	15	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2700	0.260	2	110.2700	0.068	2	110.2700	0.068	2	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.3810	0.018	2	110.2330	0.052	7	110.5759	0.124	19	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.7850	0.000	1	110.2330	0.052	7	110.5759	0.124	19	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2710	0.141	4	110.2330	0.052	7	110.5759	0.124	19	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	110.6895	0.620	2	110.7798	0.062	11	110.5759	0.124	19	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	110.7999	0.164	9	110.7798	0.062	11	110.5759	0.124	19	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	110.7340	0.000	1	110.7340	0.000	1	110.5759	0.124	19	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<3>,2|C<3>}	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	109.7010	0.000	1	109.7010	0.000	1	110.3080	0.234	5	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.4597	0.397	4	110.4597	0.158	4	110.3080	0.234	5	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.5470	0.000	1	110.5470	0.000	1	110.2560	0.080	20	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5,6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.1700	0.000	1	110.1700	0.000	1	110.2560	0.080	20	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]N[5a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.1360	0.000	1	110.1360	0.000	1	110.2560	0.080	20	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2679	0.265	14	110.2601	0.093	16	110.2560	0.080	20	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.2060	0.684	2	110.2601	0.093	16	110.2560	0.080	20	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	110.1040	0.000	1	110.1040	0.000	1	110.2560	0.080	20	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Co<5>,1|C<3>}	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Co<5>,1|C<3>}	108.8800	0.057	2	108.8800	0.003	2	109.0872	0.107	4	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Cu<4>,1|C<3>}	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cu<4>,1|C<3>}	109.2945	0.384	2	109.2945	0.147	2	109.0872	0.107	4	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	109.2270	0.000	1	108.7410	0.472	2	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	108.2550	0.000	1	108.7410	0.472	2	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	108.4420	0.000	1	108.4420	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CHO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	108.5750	0.000	1	108.5750	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	108.3455	0.333	2	108.3455	0.111	2	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(COO){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	107.8470	0.000	1	107.8470	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	108.1725	0.049	2	108.1725	0.002	2	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	108.6920	0.000	1	108.6920	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	108.3810	0.000	1	108.3810	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(H){2|C<3>}	108.4260	0.000	1	108.4260	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	109.1130	0.000	1	108.5520	0.629	2	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	107.9910	0.000	1	108.5520	0.629	2	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6]O)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6]O){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	108.5240	0.000	1	108.5240	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	109.1633	1.284	3	109.1633	1.649	3	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	108.4885	0.247	2	108.4885	0.061	2	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	108.3460	0.000	1	108.3460	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|S<2>}	109.0810	0.000	1	109.0810	0.000	1	108.5638	0.335	22	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CNO)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CNO){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|O<1>,3|C<3>}	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|H<1>}	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	108.6730	0.142	3	108.6730	0.020	3	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	109.8390	0.000	1	109.8390	0.000	1	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<2>,1|C<3>}	109.3785	0.260	2	109.1875	0.077	4	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	108.8990	0.000	1	109.1875	0.077	4	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)2(H){2|C<3>}	109.0940	0.000	1	109.1875	0.077	4	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	109.0980	0.214	3	109.0980	0.046	3	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)2(H){2|C<3>}	108.9560	0.000	1	108.9560	0.000	1	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	109.4303	0.718	3	109.4303	0.515	3	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	108.8140	0.000	1	108.8140	0.000	1	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	109.3530	0.000	1	109.4777	0.013	3	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	109.5400	0.051	2	109.4777	0.013	3	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	109.6660	0.000	1	109.6660	0.000	1	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|S<4>}	108.8150	0.000	1	108.8150	0.000	1	109.1846	0.183	21	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(NOO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	106.9625	0.228	2	106.9625	0.052	2	107.2334	0.106	7	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	107.2310	0.000	1	107.2310	0.000	1	107.2334	0.106	7	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H){1|H<1>,1|N<3>}	106.9600	0.000	1	106.9600	0.000	1	107.2334	0.106	7	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NOO){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){2|N<3>}	107.3930	0.255	2	107.3930	0.065	2	107.2334	0.106	7	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|N<3>}	107.7320	0.000	1	107.7320	0.000	1	107.2334	0.106	7	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)2(H){2|C<3>}	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<2>,1|C<3>}	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]H)(H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]Fe)(C[5a]N[5a]H)(CHN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|Fe<6>,1|C<3>}	C[5a](N[5a]C[5a]Fe)(C[5a]N[5a]H)(CHN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<6>,1|C<3>}	106.1310	0.000	1	106.1310	0.000	1	106.1310	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(H){1|C<3>,1|H<1>}	103.7410	0.000	1	103.7410	0.000	1	103.7410	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(O)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(H){1|C<3>,1|H<1>}	103.9850	0.000	1	103.9850	0.000	1	103.9850	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CNO)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CNO){2|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	104.6800	0.000	1	104.6800	0.000	1	104.6800	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	N[5a,5a]-3:C[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]H)(O)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]O)(CC[6a]H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]O)(H)	C[5a](C[5a]N[5a,5a]C)(N[5a]C[5a,5a]H)(O){1|C<3>,1|N<2>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]O)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]O)(H){3|C<3>}	106.1790	0.000	1	106.1790	0.000	1	106.1790	0.000	1	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]C[5])(N[5a]C[5a,6a]H)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H)	C[5a](C[5a]N[5a,6a]C[5])(N[5a]C[5a,6a]H)(O){1|N<3>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H){1|H<1>,3|C<3>}	107.0070	1.853	2	107.0070	3.432	2	107.0070	3.432	2	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6])	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]C[6]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H){1|H<1>,3|C<3>}	105.3122	0.648	6	105.3122	0.420	6	105.5286	0.678	7	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]H)(O){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H){1|H<1>,3|C<3>}	106.8270	0.000	1	106.8270	0.000	1	105.5286	0.678	7	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a]H)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H)	C[5a](C[5a]N[5a,6a]C[5a])(N[5a]C[5a,6a]H)(O){1|N<2>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H){1|H<1>,3|C<3>}	106.0690	0.000	2	106.0690	0.000	2	106.0690	0.000	2	109.6929	1.614	308	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|H<1>,3|C<3>}	109.6170	0.262	2	109.6170	0.068	2	109.6170	0.068	2	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH){1|H<1>,3|C<3>}	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){6|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCH)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCH){1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.5695	0.145	2	108.5695	0.021	2	108.5554	0.117	14	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCO){1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.3200	0.000	1	108.3200	0.000	1	108.5554	0.117	14	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CHN){1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.8533	0.219	6	108.8533	0.048	6	108.5554	0.117	14	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CNO){1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.2745	0.221	4	108.2745	0.049	4	108.5554	0.117	14	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(COO){1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.0990	0.000	1	108.0990	0.000	1	108.5554	0.117	14	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NHH)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]H)(NHH){1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)2{2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.6290	0.000	1	107.6290	0.000	1	107.6290	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){4|C<3>}	106.8195	0.196	2	106.8195	0.038	2	106.8195	0.038	2	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(CC[6a]O){1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.5533	0.225	3	107.5533	0.051	3	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(CHO){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.9140	0.167	2	107.9140	0.028	2	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.4692	0.149	6	107.4692	0.022	6	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	108.0570	0.000	1	108.0570	0.000	1	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHN){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.9820	0.000	2	106.9820	0.000	2	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	107.9575	0.301	2	107.3426	0.527	10	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.1889	0.728	8	107.3426	0.527	10	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHO){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	107.7217	0.560	3	107.7217	0.314	3	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.3580	0.000	1	107.5205	0.053	2	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.6830	0.000	1	107.5205	0.053	2	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	106.8010	0.000	1	107.0570	0.257	6	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	107.4950	0.000	1	107.0570	0.257	6	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.0115	0.583	4	107.0570	0.257	6	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(CCH){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.0860	0.000	1	107.0860	0.000	1	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CHO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(CHO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.7380	0.000	1	106.7380	0.000	1	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(COO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.2210	0.000	1	107.2210	0.000	1	107.3774	0.270	38	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	106.9700	0.000	1	106.9700	0.000	1	106.9700	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.8820	0.000	1	106.7760	0.022	2	106.6544	0.336	5	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.6700	0.000	1	106.7760	0.022	2	106.6544	0.336	5	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	106.8530	0.895	2	106.5733	0.635	3	106.6544	0.336	5	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	106.0140	0.000	1	106.5733	0.635	3	106.6544	0.336	5	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO){1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	105.0770	0.064	2	105.0770	0.004	2	105.2997	0.151	3	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,2|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NOO){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|N<3>}	105.7450	0.000	1	105.7450	0.000	1	105.2997	0.151	3	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)2(NCS)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(NCS){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	106.4360	0.000	1	106.4360	0.000	1	106.4360	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)2(NHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(NHH){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	106.6050	0.000	1	106.6050	0.000	1	105.4393	1.062	3	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)2(NOO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(NOO){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	104.8565	0.292	2	104.8565	0.085	2	105.4393	1.062	3	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(COO)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(COO){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	107.0240	0.455	2	107.0843	0.115	3	107.0843	0.115	3	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(COO)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(COO){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.2050	0.000	1	107.0843	0.115	3	107.0843	0.115	3	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:S-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(SCO)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(SCO){1|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<3>,2|C<3>}	106.3220	0.000	1	106.3220	0.000	1	106.3220	0.000	1	107.4297	1.016	78	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(Cl)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Cl)(COO)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(Cl){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]N[5a]Cl){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Cl)(COO){1|H<1>,3|C<3>}	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	108.6490	0.000	1	108.6490	0.000	1	109.0183	0.116	3	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H){1|C<3>,1|N<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2{1|B<4>,2|H<1>,3|C<3>}	109.2030	0.165	2	109.2030	0.027	2	109.0183	0.116	3	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a]H)(COO){1|N<2>,3|C<3>}	111.3730	0.000	1	111.3730	0.000	1	111.4960	0.030	2	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a]C[5a]H)(COO){1|N<2>,3|C<3>}	111.6190	0.000	1	111.6190	0.000	1	111.4960	0.030	2	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H){1|C<4>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	109.6110	0.000	1	109.6110	0.000	1	109.6110	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	110.0400	0.000	1	110.0400	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	110.6300	0.000	1	110.6300	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	110.6220	0.000	1	110.6220	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	111.4580	0.000	1	111.4580	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC){1|H<1>,3|C<3>}	110.3740	0.000	1	110.3740	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|H<1>,3|C<3>}	110.4640	0.000	1	110.4640	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	109.8820	0.000	1	109.8820	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]O){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	110.1380	0.000	1	110.1380	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	110.3367	0.142	3	110.3367	0.020	3	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	109.2070	0.000	1	109.2070	0.000	1	110.3188	0.281	12	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|B<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|H<1>,3|C<3>}	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	110.8430	0.000	1	110.8430	0.000	1	110.5697	0.069	3	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	110.5480	0.000	1	110.4330	0.026	2	110.5697	0.069	3	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	110.3180	0.000	1	110.4330	0.026	2	110.5697	0.069	3	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	111.2566	0.154	5	111.2566	0.024	5	111.2610	0.075	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	110.9150	0.000	1	111.2683	0.214	3	111.2610	0.075	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	111.4450	0.491	2	111.2683	0.214	3	111.2610	0.075	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NSS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NSS){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|Sn<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Sn<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H)(COO){2|C<3>}	107.7270	0.000	1	107.7270	0.000	1	108.6543	0.730	3	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(CCO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)2(CCO){2|C<3>}	109.1180	0.413	2	109.1180	0.171	2	108.6543	0.730	3	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.3858	0.357	4	109.3858	0.128	4	109.4983	0.206	15	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.6325	0.400	2	109.6325	0.160	2	109.4983	0.206	15	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.1490	0.000	1	109.1490	0.000	1	109.4983	0.206	15	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.3870	0.000	1	109.3870	0.000	1	109.4983	0.206	15	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.2595	0.165	2	109.2595	0.027	2	109.4983	0.206	15	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	109.0700	0.218	2	109.0700	0.047	2	109.4983	0.206	15	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){2|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	110.1573	0.366	3	110.1573	0.134	3	109.4983	0.206	15	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CNO)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|O<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CNO){2|C<3>}	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5,5a]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5,5a]C[5a])(N[5a]C[5,5a]C[6a])(O)	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(C[5a]N[5a]O)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O)(C[6a]C[6a]2)	C[5a](C[5a]C[5,5a]C[5a])(N[5a]C[5,5a]C[6a])(O){1|N<3>,1|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]S[5a])(C[5a]N[5a]O){1|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	109.0080	0.000	1	109.0080	0.000	1	109.0080	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	111.1820	0.000	1	111.1820	0.000	1	110.9355	0.122	2	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.6890	0.000	1	110.6890	0.000	1	110.9355	0.122	2	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	110.6830	0.000	1	110.6830	0.000	1	110.3473	0.058	4	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	110.1370	0.000	1	110.2353	0.012	3	110.3473	0.058	4	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	110.2845	0.095	2	110.2353	0.012	3	110.3473	0.058	4	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(COO){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	109.0010	0.537	2	109.0010	0.289	2	109.0015	0.151	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.7090	0.000	1	108.7090	0.000	1	109.0015	0.151	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNO){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.1275	0.544	2	109.1275	0.296	2	109.0015	0.151	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.7780	0.000	1	108.7780	0.000	1	109.0015	0.151	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.7670	0.000	1	108.7670	0.000	1	109.0015	0.151	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(COO){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	109.5010	0.000	1	109.5010	0.000	1	109.0015	0.151	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	108.7120	0.126	2	108.7120	0.016	2	108.7120	0.016	2	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]2)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]2){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C){4|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	105.1600	0.000	1	105.1600	0.000	1	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	105.9730	0.830	2	105.9730	0.689	2	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	105.7750	0.000	1	105.7750	0.000	1	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	105.3860	0.007	2	105.3860	0.000	2	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	106.1917	0.415	4	106.1917	0.173	4	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	105.2553	0.233	4	105.2553	0.054	4	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	105.5910	0.000	1	105.5910	0.000	1	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	105.4760	0.565	3	105.4760	0.319	3	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CNO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CNO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	104.9740	0.000	1	104.9740	0.000	1	105.6018	0.273	19	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	105.6640	0.304	2	105.6640	0.092	2	105.5268	0.491	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	105.8010	0.000	1	105.4448	0.813	5	105.5268	0.491	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	105.3558	1.016	4	105.4448	0.813	5	105.5268	0.491	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	105.6620	0.000	1	105.6620	0.000	1	105.5268	0.491	8	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.6158	0.405	13	104.6158	0.164	13	104.7069	0.155	23	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.9965	0.248	2	104.9965	0.062	2	104.7069	0.155	23	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.3850	0.262	3	104.3850	0.069	3	104.7069	0.155	23	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.2160	0.000	1	105.2160	0.000	1	104.7069	0.155	23	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.9723	0.200	4	104.9723	0.040	4	104.7069	0.155	23	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){2|C<4>,4|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2){1|C<4>,2|O<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.2230	0.000	1	104.2230	0.000	1	104.2230	0.000	1	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(CCO)	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O){1|Cu<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(CCO){1|Cu<2>,3|C<3>}	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	103.1060	0.000	1	103.1060	0.000	1	102.6344	0.631	5	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]O)(CC[6]H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O){1|Cu<3>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]O)(CC[6]H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<3>,1|F<1>,1|H<1>,3|C<3>}	103.2550	0.000	1	102.5165	0.749	4	102.6344	0.631	5	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]O)(CC[6]H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O){1|Cu<4>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]O)(CC[6]H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	102.2703	0.872	3	102.5165	0.749	4	102.6344	0.631	5	107.6943	7.124	126	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CCO)	N[5a](C[5a]C[5a]Cl)2(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(Cl){1|Cl<1>,1|H<1>}	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CCO){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)2(CH3){1|C<3>,1|H<1>}	110.0525	0.037	2	110.0525	0.001	2	110.0525	0.001	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	109.9440	0.055	2	109.9440	0.003	2	109.9440	0.003	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6,6]-3:C[5a]-3:N-3:	C[5a,6,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6,6]N)(N[5a]C[5a,6,6]C)(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3,6,6])(C[5a]N[5a]H)(NOO)	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6,6]N)(N[5a]C[5a,6,6]C)(H){2|C<4>}	C[5a](C[5a,6,6]C[5a,6,6]C[3,6,6])(C[5a]N[5a]H)(NOO){1|H<1>,4|C<4>}	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3){1|N<3>,4|C<4>}	107.4960	0.000	1	107.4960	0.000	1	107.4960	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|N<3>,3|C<3>}	111.5860	0.000	1	111.5860	0.000	1	111.5860	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]B[5a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]B[5a])(N[5a]C[5a,6a]C)(H){2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	111.0705	0.100	2	111.0705	0.010	2	111.0705	0.010	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H){1|Se<2>,1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.5000	0.000	1	110.5000	0.000	1	110.6095	0.024	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.7190	0.000	1	110.7190	0.000	1	110.6095	0.024	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]B[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(B[5]O[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]B[5])(N[5a]C[5a,6a]C)(H){2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(B[5]O[5]2){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	111.8670	0.346	2	111.8670	0.120	2	111.8670	0.120	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.4600	0.000	1	110.4600	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.9062	0.566	5	110.9062	0.320	5	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.7150	0.122	3	110.7150	0.015	3	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.9880	0.000	1	110.9880	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	110.2013	0.495	4	110.2013	0.245	4	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.1757	0.046	3	110.4838	0.282	5	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	110.9460	0.641	2	110.4838	0.282	5	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.5264	0.301	15	110.6853	0.212	20	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.7305	0.431	2	110.6853	0.212	20	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|Se<2>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<2>,3|C<3>}	111.4890	0.659	2	110.6853	0.212	20	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.3720	0.000	1	110.6853	0.212	20	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH){3|C<3>}	111.1260	0.000	1	111.1260	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCS){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	109.6410	0.000	1	109.6410	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.2190	0.068	2	110.2190	0.005	2	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.4195	0.032	2	110.4195	0.001	2	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.4372	0.183	5	110.4372	0.034	5	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.1070	0.000	1	111.1070	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.7650	0.082	2	110.7650	0.007	2	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.2690	0.000	1	111.2690	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.0990	0.133	2	110.0990	0.018	2	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){4|C<3>}	110.9160	0.000	1	110.9160	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	111.5920	0.000	1	111.5920	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.9893	0.429	3	110.9893	0.184	3	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.7870	0.530	9	110.7870	0.281	9	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	110.2820	0.000	1	110.2820	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	110.5725	0.202	4	110.5725	0.041	4	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.7484	0.378	5	110.7484	0.143	5	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	110.8010	0.000	1	110.8010	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.8367	0.337	3	110.8367	0.114	3	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.3350	0.000	1	110.3350	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.6000	0.000	1	110.6000	0.000	1	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.6997	0.296	3	110.6997	0.088	3	110.6585	0.200	89	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	108.8100	0.612	2	108.8100	0.375	2	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.8360	0.000	1	109.8360	0.000	1	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.7300	0.000	1	109.7300	0.000	1	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5,6]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5,6]O){1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	110.1640	0.000	1	110.1640	0.000	1	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6,6]H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.6793	0.315	3	109.6793	0.099	3	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]C){1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	111.0250	0.000	1	111.0250	0.000	1	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	110.1090	0.380	2	110.1090	0.145	2	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.6850	0.000	1	109.6850	0.000	1	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHN){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.8900	0.000	1	109.8900	0.000	1	109.7851	0.381	13	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	110.2667	0.669	6	110.2667	0.448	6	110.4895	0.337	11	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	111.0490	0.383	2	111.0490	0.147	2	110.4895	0.337	11	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.7380	0.000	1	110.5620	0.024	3	110.4895	0.337	11	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.4740	0.045	2	110.5620	0.024	3	110.4895	0.337	11	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.1140	0.000	1	111.1140	0.000	1	110.6688	0.358	6	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.3600	0.000	1	110.5798	0.388	5	110.6688	0.358	6	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.6550	0.000	1	110.5798	0.388	5	110.6688	0.358	6	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|Si<4>,1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	109.6310	0.000	1	110.5798	0.388	5	110.6688	0.358	6	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.1265	0.005	2	110.5798	0.388	5	110.6688	0.358	6	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.0062	0.421	5	111.0062	0.177	5	111.1247	0.226	6	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){3|C<3>}	111.7170	0.000	1	111.7170	0.000	1	111.1247	0.226	6	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){3|C<3>}	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	108.9630	0.000	1	108.9630	0.000	1	108.9630	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(NOO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(H){2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	109.9610	0.168	2	109.9610	0.028	2	109.9610	0.028	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]S)(H){2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.5830	0.000	1	111.5830	0.000	1	111.0751	0.139	8	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	110.6200	0.000	1	110.6200	0.000	1	111.0751	0.139	8	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.6630	0.000	1	111.6630	0.000	1	111.0751	0.139	8	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.0570	0.035	2	110.9470	0.020	5	111.0751	0.139	8	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.8160	0.000	1	110.9470	0.020	5	111.0751	0.139	8	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	111.0330	0.000	1	110.9470	0.020	5	111.0751	0.139	8	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	110.7720	0.000	1	110.9470	0.020	5	111.0751	0.139	8	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	110.1130	0.000	1	110.1130	0.000	1	109.9197	0.110	4	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.9020	0.000	1	109.6805	0.098	2	109.9197	0.110	4	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.4590	0.000	1	109.6805	0.098	2	109.9197	0.110	4	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){3|C<3>}	110.2050	0.000	1	110.2050	0.000	1	109.9197	0.110	4	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO)	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]S)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]2)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO){1|H<1>,1|N<3>,2|C<3>}	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Mn<5>,1|C<3>}	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Mn<5>,1|C<3>}	110.2580	0.000	1	110.2580	0.000	1	109.9785	0.156	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Ni<4>,1|C<3>}	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Ni<4>,1|C<3>}	109.6990	0.000	1	109.6990	0.000	1	109.9785	0.156	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CHO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|C<3>}	109.1440	0.000	1	109.1440	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|C<3>}	109.0750	0.000	1	109.0750	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,3|C<3>}	109.1110	0.000	1	109.1110	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	109.2470	0.000	1	109.2470	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	108.6140	0.000	1	108.6140	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	110.0070	0.557	2	110.0070	0.310	2	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>}	109.9800	0.000	1	109.9800	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	109.5580	0.000	1	109.5580	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>}	110.4760	0.000	1	110.4760	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	108.3795	0.204	2	108.3795	0.042	2	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	109.2380	0.000	1	109.2380	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	109.8820	0.000	1	109.8820	0.000	1	109.3641	0.448	14	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCO){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|N<3>}	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a]C[5a]H)2(CH3)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	108.9783	0.227	3	108.9783	0.052	3	109.6043	0.813	12	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	109.9080	0.000	1	109.9080	0.000	1	109.6043	0.813	12	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	109.7135	1.206	2	109.7135	1.454	2	109.6043	0.813	12	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,1|P<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH){1|C<3>,1|C<4>}	109.9880	0.000	1	109.9880	0.000	1	109.6043	0.813	12	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(CCHH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)2(CCHH){2|C<3>}	108.6765	0.313	2	108.6765	0.098	2	109.6043	0.813	12	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH){1|C<3>,1|H<1>}	110.0535	0.015	2	110.0535	0.000	2	109.6043	0.813	12	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|N<3>,3|C<3>}	111.5340	0.000	1	111.5340	0.000	1	109.6043	0.813	12	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){4|C<3>}	108.7590	0.000	1	108.7590	0.000	1	108.2827	0.421	3	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|H<1>}	107.5440	0.000	1	107.5440	0.000	1	108.2827	0.421	3	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){1|C<4>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|S<2>}	108.5450	0.000	1	108.5450	0.000	1	108.2827	0.421	3	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Si-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Si)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(SiC3)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Si)(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a]H)2(SiC3){1|C<3>,1|H<1>}	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	108.4140	0.236	4	108.4140	0.056	4	107.9083	0.253	23	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	108.5570	0.000	1	108.5570	0.000	1	107.9083	0.253	23	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	108.1052	0.465	5	108.1052	0.216	5	107.9083	0.253	23	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	107.2690	0.328	2	107.2690	0.108	2	107.9083	0.253	23	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	107.5924	0.355	8	107.5924	0.126	8	107.9083	0.253	23	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|N<2>}	107.5480	0.000	1	107.5480	0.000	1	107.9083	0.253	23	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|N<3>}	108.1640	0.192	2	108.1640	0.037	2	107.9083	0.253	23	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(NCH)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(NCH){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|N<3>}	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|C<4>}	108.4640	0.000	1	108.4640	0.000	1	108.6249	0.024	7	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|H<1>}	108.6517	0.150	6	108.6517	0.022	6	108.6249	0.024	7	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-3:	B[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,3|C<3>}	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O){1|H<1>,1|S<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CCHH){1|C<3>,1|H<1>}	105.5095	0.166	2	105.5095	0.028	2	105.3510	0.089	3	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O){1|H<1>,1|S<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(CC[6a]HH){1|C<3>,1|H<1>}	105.0340	0.000	1	105.0340	0.000	1	105.3510	0.089	3	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]C)(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a]C)(O){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3){1|H<1>,3|C<3>}	104.5070	0.000	1	104.5070	0.000	1	104.5070	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	110.3790	0.191	2	110.3790	0.036	2	110.3790	0.036	2	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]H)2(SiC3)	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]N)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NOO){1|Si<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SiC3){1|H<1>,1|N<3>}	108.4760	0.000	1	108.4760	0.000	1	108.4760	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[3]-4:	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CCH)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H)	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]C)(O){1|Se<1>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CCH){1|Se<1>,1|C<4>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]O)(C[3]C[3]2H){1|C<3>,5|H<1>}	104.5640	0.000	1	104.5640	0.000	1	104.5640	0.000	1	109.8756	1.891	234	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	109.1160	0.295	4	109.1160	0.087	4	107.8974	0.807	14	107.8974	0.807	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	107.1098	0.219	6	107.1098	0.048	6	107.8974	0.807	14	107.8974	0.807	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CC[5a]2H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	108.0785	0.343	2	108.0785	0.118	2	107.8974	0.807	14	107.8974	0.807	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(CC[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(CC[5a]HH){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	107.6415	0.124	2	107.6415	0.015	2	107.8974	0.807	14	107.8974	0.807	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	106.3000	0.000	1	106.7847	0.523	3	107.1273	0.818	4	107.1510	0.771	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	107.0270	0.833	2	106.7847	0.523	3	107.1273	0.818	4	107.1510	0.771	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CH3){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	108.1550	0.000	1	108.1550	0.000	1	107.1273	0.818	4	107.1510	0.771	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]HH){1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|C<4>}	106.3640	0.000	1	106.3640	0.000	1	106.3640	0.000	1	107.1510	0.771	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2H){1|O<2>,3|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	107.1510	0.771	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(Br){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	110.0515	0.586	2	110.0515	0.344	2	110.1058	0.127	4	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<2>,1|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5a]CH){1|H<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	110.0440	0.000	1	110.0440	0.000	1	110.1058	0.127	4	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	110.2760	0.000	1	110.2760	0.000	1	110.1058	0.127	4	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	110.2120	0.000	1	110.2120	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9150	0.000	1	110.9150	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2210	0.450	8	110.2210	0.202	8	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.8900	0.000	1	109.8900	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0970	0.000	1	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.5046	0.282	5	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9315	1.500	2	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.6790	0.000	1	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3260	0.000	1	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3189	0.474	7	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.0310	0.000	1	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3425	0.555	187	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	110.0205	0.244	2	110.3519	0.305	207	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	110.8475	0.351	2	110.8475	0.124	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.7700	0.000	1	109.7700	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2110	0.000	1	110.2110	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9860	0.000	1	110.9860	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9330	0.000	1	110.6946	0.274	20	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.6821	0.535	19	110.6946	0.274	20	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1630	0.000	1	110.1630	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1036	0.644	5	110.1036	0.414	5	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2935	0.023	2	110.2935	0.001	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1630	0.000	1	110.1630	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.8360	0.000	1	109.8360	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3678	0.216	4	110.3678	0.046	4	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	111.1090	0.000	1	111.1090	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	113.0240	0.000	1	110.5655	0.582	15	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9400	0.000	1	110.5655	0.582	15	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3475	0.334	13	110.5655	0.582	15	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HS){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.7140	0.000	1	109.7140	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.9080	0.000	1	110.0180	0.024	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1280	0.000	1	110.0180	0.024	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.6361	0.609	12	110.6361	0.371	12	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2623	0.427	13	110.2814	0.173	14	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	110.5300	0.000	1	110.2814	0.173	14	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3180	0.000	1	110.3180	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.6255	0.302	2	109.6255	0.091	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.7260	0.000	1	110.9860	1.095	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2460	0.000	1	110.9860	1.095	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3370	0.000	1	110.2090	0.008	4	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1663	0.024	3	110.2090	0.008	4	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4700	0.000	1	110.4700	0.000	1	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2125	0.162	2	110.6234	0.262	7	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.7878	0.518	5	110.6234	0.262	7	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2587	0.145	3	110.2587	0.021	3	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHS){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1148	0.211	4	110.1148	0.044	4	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4790	0.181	3	110.4790	0.033	3	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[6]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3590	0.148	2	110.3590	0.022	2	110.3820	0.301	331	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.3195	0.214	2	110.8208	0.232	5	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4200	0.000	1	110.8208	0.232	5	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3690	0.000	1	110.8208	0.232	5	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|H<1>,2|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.6760	0.000	1	110.8208	0.232	5	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0960	0.733	4	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3550	0.543	2	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2153	0.412	3	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0620	0.000	1	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0870	0.000	1	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<3>,3|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.7620	0.000	1	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.6710	0.000	1	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3255	0.913	2	110.3315	0.390	15	110.4539	0.383	20	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4660	0.000	1	110.4660	0.000	1	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1020	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.5910	0.000	2	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.5810	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0770	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.0000	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4890	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.7380	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.7630	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.5195	0.617	2	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9770	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.5210	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.7320	0.000	1	110.5144	0.148	14	110.5111	0.137	15	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(PC[5]CW)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(PC[5]CW){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	109.2620	0.330	2	109.2620	0.109	2	109.2620	0.109	2	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	109.0530	0.000	1	109.0530	0.000	1	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCCH)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCCH){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	109.2680	0.000	1	109.2680	0.000	1	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|C<4>}	109.0926	0.426	20	109.0926	0.181	20	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<4>}	109.1520	0.157	4	109.1520	0.025	4	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	109.0650	0.000	1	109.0650	0.000	1	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	109.6990	0.711	2	109.6990	0.506	2	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(H){1|C<4>,1|H<1>}	109.1590	0.000	1	109.1590	0.000	1	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	108.4540	0.000	2	108.4540	0.000	2	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	109.8930	0.211	2	109.8930	0.044	2	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.9010	0.000	1	107.9010	0.000	1	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|O<2>}	109.8785	0.131	2	109.8785	0.017	2	109.1555	0.263	37	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	109.1825	0.200	2	109.1825	0.040	2	109.1825	0.040	2	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(SC[6a]OO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|S<4>}	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H){2|C<4>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.0290	0.000	1	109.0290	0.000	1	108.6075	0.355	2	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[5]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.1860	0.000	1	108.1860	0.000	1	108.6075	0.355	2	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	B[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H){2|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CHHN){2|C<3>,2|H<1>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(I)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(I){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]I)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H){1|C<3>,1|O<2>,2|C<4>}	109.8804	0.617	10	109.8804	0.380	10	109.8804	0.380	10	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	107.6160	0.000	1	107.6160	0.000	1	107.1065	0.078	6	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	107.0940	0.011	2	107.0940	0.000	2	107.1065	0.078	6	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	106.7600	0.000	1	106.7600	0.000	1	107.1065	0.078	6	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	107.0375	0.004	2	107.0375	0.000	2	107.1065	0.078	6	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO){2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<4>,1|S<4>}	104.5675	0.609	2	104.5675	0.371	2	104.5675	0.371	2	110.1759	0.743	436	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO){1|C<4>,1|H<1>,2|C<3>}	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH){1|C<4>,1|H<1>,2|C<3>}	106.5410	0.000	1	106.5410	0.000	1	107.6425	2.427	2	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H){1|C<4>,1|P<4>}	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH){1|C<4>,1|P<4>}	108.7440	0.000	1	108.7440	0.000	1	107.6425	2.427	2	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]Cl)(C[5a]N[5a]C)(CCCH){1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CH3){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2280	0.000	1	108.2280	0.000	1	107.7542	0.170	5	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.8100	0.000	1	107.8100	0.000	1	107.7542	0.170	5	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHNP){3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.6980	0.000	1	107.6980	0.000	1	107.7542	0.170	5	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.9280	0.000	1	107.9280	0.000	1	107.7542	0.170	5	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CF3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)2(CF3){1|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	107.1070	0.000	1	107.1070	0.000	1	107.7542	0.170	5	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)2(CH3){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	107.7160	0.000	1	107.3430	0.278	2	107.3430	0.278	2	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]H)2(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]H)2(CH3){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.9700	0.000	1	107.3430	0.278	2	107.3430	0.278	2	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){7|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.8742	0.634	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H)	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO)	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]N[5a]H)(CHHO){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO){1|H<1>,4|C<4>}	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	109.7975	0.098	2	109.7975	0.010	2	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	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>}	110.5027	0.028	3	110.5027	0.001	3	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.3625	0.463	2	110.3625	0.215	2	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.1340	0.062	2	110.1340	0.004	2	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.6490	0.845	5	110.6490	0.714	5	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|H<1>,3|C<3>}	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>}	110.2620	0.000	1	110.2620	0.000	1	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.1550	0.382	2	110.1550	0.146	2	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){1|H<1>,3|C<3>}	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>}	110.6260	0.000	1	110.6260	0.000	1	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|C<4>,1|H<1>,2|C<3>}	111.1690	0.000	1	111.1690	0.000	1	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	110.3320	0.190	3	110.3320	0.036	3	110.3956	0.253	22	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF)	N[5a](C[5a]C[5a]H)2(COO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCFF){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(COO){2|C<4>}	108.1745	0.132	4	108.1745	0.017	4	108.1745	0.017	4	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(NCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3){1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(NCH){2|C<4>}	107.8090	0.457	2	107.8090	0.209	2	107.8090	0.209	2	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(COO){2|C<4>}	105.4950	0.000	1	105.4950	0.000	1	105.4785	0.001	2	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CNS){2|C<4>}	105.4620	0.000	1	105.4620	0.000	1	105.4785	0.001	2	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl){4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C){4|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|C<3>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	110.5620	0.000	1	110.5620	0.000	1	110.5447	0.052	3	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	110.5360	0.321	2	110.5360	0.103	2	110.5447	0.052	3	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	110.6910	0.000	1	110.6910	0.000	1	110.7022	1.709	8	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	111.3010	0.000	1	111.3010	0.000	1	110.7022	1.709	8	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	110.9040	0.000	1	110.9040	0.000	1	110.7022	1.709	8	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	110.9285	0.223	2	111.2823	0.183	4	110.7022	1.709	8	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	111.6360	0.000	2	111.2823	0.183	4	110.7022	1.709	8	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	107.5930	0.000	1	107.5930	0.000	1	110.7022	1.709	8	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	108.7110	0.000	1	108.7110	0.000	1	109.1087	0.316	3	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	109.7520	0.000	1	109.7520	0.000	1	109.1087	0.316	3	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HN){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	108.8630	0.000	1	108.8630	0.000	1	109.1087	0.316	3	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|C<4>,5|C<3>}	109.3130	0.102	2	109.3130	0.010	2	109.3130	0.010	2	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SiC3)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(H){2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SiC3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	110.5880	0.010	2	110.5880	0.000	2	110.5880	0.000	2	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	105.9470	0.000	1	105.9470	0.000	1	105.9726	0.100	7	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	106.1600	0.307	2	106.1600	0.094	2	105.9726	0.100	7	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	105.7030	0.396	2	105.7030	0.157	2	105.9726	0.100	7	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	106.3040	0.000	1	106.3040	0.000	1	105.9726	0.100	7	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	105.8310	0.000	1	105.8310	0.000	1	105.9726	0.100	7	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	104.6328	0.313	4	104.6328	0.098	4	104.6328	0.098	4	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]P)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3)	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]P)(O){1|Pd<4>,1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3){1|Pd<4>,1|C<3>}	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	105.2590	0.000	1	105.2590	0.000	1	105.2590	0.000	1	109.0053	4.618	63	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]S)(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]S)(H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|O<1>,2|C<3>}	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.6265	0.276	2	110.6653	0.043	3	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7430	0.000	1	110.6653	0.043	3	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.0113	0.377	4	111.0113	0.142	4	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.8950	0.000	1	109.8950	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	110.6840	0.000	2	110.6840	0.000	2	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	112.3170	0.000	1	112.3170	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.4527	0.361	4	110.4527	0.130	4	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7551	0.344	7	110.7551	0.118	7	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	110.1690	0.000	1	110.1690	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	110.3520	0.000	1	110.7700	0.349	2	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	111.1880	0.000	1	110.7700	0.349	2	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.4440	0.000	1	110.0810	0.517	3	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	110.3995	0.653	2	110.0810	0.517	3	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.0860	0.000	1	110.0860	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHP){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.7290	0.000	1	110.7290	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CC){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.4305	0.325	2	111.4305	0.105	2	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.0440	0.000	1	111.0440	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9965	0.194	2	110.9965	0.038	2	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]2H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.8500	0.569	3	110.8500	0.324	3	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	111.3350	0.000	1	111.3350	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9253	0.205	6	110.9253	0.042	6	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.1560	0.358	2	111.1560	0.128	2	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CC){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.3693	0.302	7	111.3693	0.091	7	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.4890	0.000	1	110.8417	0.129	3	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.0180	0.269	2	110.8417	0.129	3	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.5210	0.000	1	110.5210	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.6680	0.644	5	110.6680	0.415	5	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.3620	0.010	2	110.3620	0.000	2	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	111.0180	0.000	1	111.0180	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7204	0.680	5	110.7204	0.462	5	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	109.9060	0.000	1	109.9060	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CDyCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CDyCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.5972	0.540	6	110.5972	0.292	6	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.4870	0.000	1	110.4870	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.1550	0.000	1	110.1550	0.000	1	110.7822	0.282	80	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni){1|C<4>,1|P<4>,2|C<3>}	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.1730	0.000	1	110.1730	0.000	1	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Br<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.5490	0.000	1	110.2593	0.150	3	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.1145	0.416	2	110.2593	0.150	3	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	111.0680	0.000	1	111.0680	0.000	1	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|Br<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	111.3630	0.000	1	111.3630	0.000	1	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HN){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.5630	0.000	1	109.5630	0.000	1	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]CH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.2720	0.000	1	110.2720	0.000	1	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]HN){1|C<4>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.6060	0.000	1	109.6060	0.000	1	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,3|C<3>}	110.9345	0.671	2	110.9345	0.450	2	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.0930	0.000	1	110.0930	0.000	1	110.3988	0.386	12	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[4]C[4]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.9540	0.279	2	109.9540	0.078	2	109.9540	0.078	2	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.9530	0.000	1	110.9530	0.000	1	110.6697	0.089	7	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	111.1710	0.000	1	111.1710	0.000	1	110.6697	0.089	7	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.6120	0.000	1	110.5128	0.020	5	110.6697	0.089	7	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.3820	0.000	2	110.5128	0.020	5	110.6697	0.089	7	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.5940	0.157	2	110.5128	0.020	5	110.6697	0.089	7	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.8410	0.000	1	110.5930	1.050	3	110.5930	1.050	3	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.4690	1.417	2	110.5930	1.050	3	110.5930	1.050	3	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	111.3140	0.000	1	111.3140	0.000	1	111.4740	0.051	2	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O){1|O<2>,1|S<4>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	111.6340	0.000	1	111.6340	0.000	1	111.4740	0.051	2	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]2H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	111.5270	0.000	1	111.5270	0.000	1	111.5530	0.001	2	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SiC[6a]3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	111.5790	0.000	1	111.5790	0.000	1	111.5530	0.001	2	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	109.0700	0.000	1	109.0700	0.000	1	109.3076	0.227	5	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	109.2000	0.000	1	109.2000	0.000	1	109.3076	0.227	5	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	109.9670	0.000	1	109.9670	0.000	1	109.3076	0.227	5	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|I<1>}	C[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(CF3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	108.7280	0.000	1	108.7280	0.000	1	109.3076	0.227	5	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CCHH){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	109.5730	0.000	1	109.5730	0.000	1	109.3076	0.227	5	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){2|C<4>}	107.4590	0.000	1	107.4590	0.000	1	108.0710	0.252	4	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){2|C<4>}	108.6580	0.000	1	108.6580	0.000	1	108.0710	0.252	4	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CF3){1|C<3>,1|S<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.0835	0.190	2	108.0835	0.036	2	108.0710	0.252	4	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|H<1>,1|S<4>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C-4:	B[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	112.2185	0.087	2	112.2185	0.008	2	112.2185	0.008	2	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|Si<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	110.5974	0.819	124	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:4:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[3]C[3]2H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.5389	0.296	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	110.6400	0.000	1	110.6400	0.000	1	110.9537	0.179	3	110.5389	0.296	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,2|H<1>,7|C<3>}	110.7860	0.000	1	110.7860	0.000	1	110.9537	0.179	3	110.5389	0.296	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	111.4350	0.000	1	111.4350	0.000	1	110.9537	0.179	3	110.5389	0.296	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,6|C<3>}	109.9935	0.530	2	109.9935	0.281	2	110.1800	0.245	3	110.5389	0.296	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:4:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	110.5530	0.000	1	110.5530	0.000	1	110.1800	0.245	3	110.5389	0.296	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:6:	3:2:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-6:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)2(SF5)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H){1|H<1>}	C[5a](C[5a]N[5a]H)2(SF5){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<6>}	106.6693	0.462	3	106.6693	0.213	3	106.6693	0.213	3	106.6693	0.213	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.4480	0.000	1	104.4480	0.000	1	104.4480	0.000	1	105.1720	0.188	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a]){3|C<4>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	105.1100	0.000	1	105.1100	0.000	1	105.3530	0.032	4	105.1720	0.188	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a]){3|C<4>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	105.4340	0.093	3	105.4340	0.009	3	105.3530	0.032	4	105.1720	0.188	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){1|C<3>,4|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	105.0660	0.000	1	105.0660	0.000	1	105.0660	0.000	1	104.8243	0.050	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	104.7035	0.108	2	104.7035	0.012	2	104.7035	0.012	2	104.8243	0.050	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.6014	0.203	5	110.6014	0.041	5	110.4122	0.116	25	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3649	0.355	20	110.3649	0.126	20	110.4122	0.116	25	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2165	0.295	2	110.2165	0.087	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4520	0.000	2	110.4520	0.000	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.9070	0.000	1	109.9070	0.000	1	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.5490	0.000	1	109.5490	0.000	1	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1640	0.000	1	110.1640	0.000	1	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.8990	0.255	4	110.1304	0.126	7	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.6420	0.000	1	110.1304	0.126	7	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3375	0.013	2	110.1304	0.126	7	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4388	0.224	5	110.4573	0.054	7	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.5035	0.340	2	110.4573	0.054	7	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.6350	0.000	1	109.6350	0.000	1	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1163	0.327	3	110.1163	0.107	3	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0870	0.000	1	110.0870	0.000	1	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4780	0.163	2	110.2327	0.194	3	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.7420	0.000	1	110.2327	0.194	3	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.9190	0.000	1	109.9190	0.000	1	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2645	0.009	2	110.3210	0.010	3	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4340	0.000	1	110.3210	0.010	3	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3540	0.000	1	110.3400	0.000	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3260	0.000	1	110.3400	0.000	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.4640	0.000	1	110.1635	0.428	4	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	111.0300	0.000	1	110.1635	0.428	4	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0800	0.177	2	110.1635	0.428	4	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2510	0.000	1	110.0555	0.076	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.8600	0.000	1	110.0555	0.076	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.9480	0.000	1	110.3920	0.394	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.8360	0.000	1	110.3920	0.394	2	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.7772	0.201	4	109.7772	0.040	4	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H){1|O<1>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0860	0.134	4	110.0860	0.018	4	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.4790	0.000	1	109.4790	0.000	1	110.1516	0.131	52	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3760	0.000	1	110.4290	0.006	2	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4820	0.000	1	110.4290	0.006	2	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2825	0.105	2	110.2825	0.011	2	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	110.6260	0.000	1	110.6260	0.000	1	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9245	0.217	2	110.9245	0.047	2	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	108.7830	1.377	2	109.4680	1.397	4	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.6970	0.000	1	109.4680	1.397	4	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.6090	0.000	1	109.4680	1.397	4	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2395	0.030	2	110.5292	0.119	4	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.7190	0.000	1	110.5292	0.119	4	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.9190	0.000	1	110.5292	0.119	4	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3770	0.000	1	110.3770	0.000	1	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3420	0.000	1	110.4612	0.036	5	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.4910	0.206	4	110.4612	0.036	5	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	112.1740	0.000	1	111.2810	1.595	2	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.3880	0.000	1	111.2810	1.595	2	110.3970	0.550	23	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	110.2542	0.268	101	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.6970	0.400	3	107.6970	0.160	3	107.7097	0.218	7	107.7097	0.218	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.5100	0.000	1	107.7193	0.329	4	107.7097	0.218	7	107.7097	0.218	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.5420	0.000	1	107.7193	0.329	4	107.7097	0.218	7	107.7097	0.218	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.4125	0.279	2	107.7193	0.329	4	107.7097	0.218	7	107.7097	0.218	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(H){2|C<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]C)(C[5a]N[5a]H){1|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.4675	0.136	2	110.4675	0.019	2	110.4675	0.019	2	110.8810	0.787	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	109.9590	0.000	1	109.9590	0.000	1	111.0877	1.135	4	110.8810	0.787	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.4000	0.000	1	110.4000	0.000	1	111.0877	1.135	4	110.8810	0.787	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]S[6]C)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	111.9960	0.088	2	111.9960	0.008	2	111.0877	1.135	4	110.8810	0.787	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:Br-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(SCOO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(Br){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br){1|H<1>,1|N<3>,1|O<1>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(SCOO){1|C<4>,1|H<1>,2|C<3>}	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	111.4430	0.212	2	111.4430	0.045	2	111.1761	0.251	10	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9860	0.372	2	110.9860	0.138	2	111.1761	0.251	10	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.1148	0.338	4	111.1148	0.115	4	111.1761	0.251	10	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.3560	0.000	1	111.2220	1.500	2	111.1761	0.251	10	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	112.0880	0.000	1	111.2220	1.500	2	111.1761	0.251	10	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(H){1|N<3>,2|C<3>,2|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H){1|H<1>,3|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7005	1.191	2	110.7005	1.420	2	110.7005	1.420	2	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.5815	0.159	2	110.5815	0.025	2	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.0070	0.000	1	110.5830	2.138	3	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.3710	0.742	2	110.5830	2.138	3	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>,2|O<2>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9410	0.000	1	110.9410	0.000	1	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.0270	0.000	1	111.0270	0.000	1	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.7980	0.266	3	110.7980	0.071	3	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9740	0.146	2	110.9740	0.021	2	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.0080	0.047	2	111.0080	0.002	2	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.4905	0.906	2	110.4905	0.820	2	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.4330	0.000	1	110.4330	0.000	1	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.6310	0.000	1	110.6310	0.000	1	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.8440	0.163	2	110.8440	0.026	2	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.0160	0.000	1	110.0160	0.000	1	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.4500	0.000	1	110.9630	0.255	3	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.2195	0.339	2	110.9630	0.255	3	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.0860	0.000	1	110.0860	0.000	1	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.7430	0.133	2	111.2409	0.987	7	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]H){2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.4400	1.141	5	111.2409	0.987	7	110.8328	0.487	32	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.1890	0.000	1	110.1890	0.000	1	110.0285	0.052	2	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H){5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|H<1>,1|S<4>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.8680	0.000	1	109.8680	0.000	1	110.0285	0.052	2	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]Si)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]Si)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.0260	0.000	1	110.0260	0.000	1	110.0260	0.000	1	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9100	0.000	1	110.9100	0.000	1	110.5860	0.107	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9610	0.000	1	110.9610	0.000	1	110.5860	0.107	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	110.5420	0.000	1	110.5420	0.000	1	110.5860	0.107	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.6770	0.000	1	110.4515	0.102	2	110.5860	0.107	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.2260	0.000	1	110.4515	0.102	2	110.5860	0.107	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.2000	0.000	1	110.2000	0.000	1	110.5860	0.107	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.2160	0.000	1	110.2160	0.000	1	109.5935	0.497	4	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5a]N[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.1720	0.000	1	110.1720	0.000	1	109.5935	0.497	4	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H){1|H<1>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.9930	0.219	2	108.9930	0.048	2	109.5935	0.497	4	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]2)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]2)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	111.3440	0.228	2	111.3440	0.052	2	111.3473	0.224	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[5a]C[6a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	111.3490	0.597	4	111.3490	0.356	4	111.3473	0.224	6	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5a]-3:Si-4:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]Si)(H)	C[5a](C[5a]C[5a]C[5])(C[5]C[5]2Fe)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(SiC3)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]Si)(H){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5]C[5]2Fe)(C[5a]N[5a]H){1|Fe<10>,1|Si<4>,3|H<1>,4|C<4>}	N[5a](C[5a]C[5a]H)2(SiC3){2|C<4>}	110.7440	0.049	2	110.7440	0.002	2	110.7440	0.002	2	110.8005	0.554	68	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](CC[6a]N[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.6130	0.000	1	104.6130	0.000	1	105.0040	0.622	3	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C[5a](CC[6a]N[5a]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	105.1995	1.008	2	105.1995	1.015	2	105.0040	0.622	3	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>}	105.6950	0.631	2	105.6950	0.398	2	105.0952	0.222	12	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	105.0760	0.000	1	105.0760	0.000	1	105.0952	0.222	12	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	105.0455	0.524	4	105.0455	0.274	4	105.0952	0.222	12	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.8268	0.252	4	104.8268	0.063	4	105.0952	0.222	12	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	105.1870	0.000	1	105.1870	0.000	1	105.0952	0.222	12	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.6980	0.000	1	104.6980	0.000	1	104.6980	0.000	1	105.0532	0.256	16	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.5820	0.569	2	105.3275	0.202	4	105.3275	0.202	4	105.0143	0.183	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	105.0730	0.153	2	105.3275	0.202	4	105.3275	0.202	4	105.0143	0.183	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	104.5430	0.000	1	104.5430	0.000	1	104.6270	0.014	2	105.0143	0.183	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	104.7110	0.000	1	104.7110	0.000	1	104.6270	0.014	2	105.0143	0.183	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	104.6670	0.000	1	104.6670	0.000	1	104.6670	0.000	1	105.0143	0.183	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	P[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H)	C[5a](P[5]C[5,5a]2O)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H){1|O<1>,4|C<3>}	C[5a](P[5]C[5,5a]2O)(C[5a]N[5a]H)(N[5a]N[5a]){5|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	104.9490	0.161	2	104.9490	0.026	2	104.9490	0.026	2	105.0143	0.183	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]C)(H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]C)(H){2|C<4>,2|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	106.0371	0.204	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]S)(H)	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]S)(H){2|C<4>,2|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	105.9330	0.000	1	105.9330	0.000	1	106.1447	0.044	3	106.0371	0.204	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]S)(H)	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]S)(H){2|C<4>,2|H<1>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	106.2505	0.144	2	106.2505	0.021	2	106.1447	0.044	3	106.0371	0.204	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H)	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	105.0650	0.000	1	105.0650	0.000	1	105.8137	0.259	4	106.0371	0.204	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H){1|C<4>,1|N<3>,2|H<1>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	105.9230	0.000	1	106.0633	0.015	3	105.8137	0.259	4	106.0371	0.204	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H){1|C<4>,1|N<3>,2|H<1>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	106.1335	0.019	2	106.0633	0.015	3	105.8137	0.259	4	106.0371	0.204	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	3:4:2:	C[5a]-3:N[5a]-3:H-1:	P[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](C[5a]N[5a]P[5])(N[5a]N[5a]C[6])(H)	C[5a](P[5]C[5,5a]2O)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](C[5a]N[5a]P[5])(N[5a]N[5a]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a](P[5]C[5,5a]2O)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	104.7015	1.054	2	104.7015	1.112	2	104.7015	1.112	2	104.7015	1.112	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:2:	4:3:2:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C[6])(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C[6])(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	104.5830	0.127	2	104.5830	0.016	2	104.5830	0.016	2	104.5830	0.016	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:2:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)2	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]H)2{2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.8652	0.246	5	107.8652	0.061	5	107.8652	0.061	5	107.8652	0.061	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|N<3>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0490	0.000	1	110.0373	0.000	4	110.0373	0.000	4	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0335	0.022	2	110.0373	0.000	4	110.0373	0.000	4	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0330	0.000	1	110.0373	0.000	4	110.0373	0.000	4	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.1660	0.000	1	110.1210	0.004	2	110.0575	0.007	4	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0760	0.000	1	110.1210	0.004	2	110.0575	0.007	4	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	109.9700	0.000	1	109.9700	0.000	1	110.0575	0.007	4	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H)	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.0180	0.000	1	110.0180	0.000	1	110.0575	0.007	4	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<4>,1|H<1>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(H)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[5a](C[5a]C[5a]H)2(H){1|C<4>,1|H<1>}	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	109.6418	0.806	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.6900	0.000	1	108.6900	0.000	1	108.6900	0.000	1	107.9530	0.413	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:Cl-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	107.9530	0.413	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.1133	0.083	3	108.1133	0.007	3	107.8044	0.358	10	107.9530	0.413	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.8140	0.017	2	107.8140	0.000	2	107.8044	0.358	10	107.9530	0.413	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.8580	0.000	1	107.7710	1.230	3	107.8044	0.358	10	107.9530	0.413	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.2275	1.100	2	107.7710	1.230	3	107.8044	0.358	10	107.9530	0.413	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	107.3815	0.315	2	107.3815	0.099	2	107.8044	0.358	10	107.9530	0.413	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	107.9243	2.949	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	107.9243	2.949	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	106.6000	0.690	2	106.6000	0.476	2	106.6000	0.476	2	107.9243	2.949	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(CC3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|H<1>}	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	109.6552	0.540	4	109.6552	0.292	4	109.6552	0.292	4	109.9778	1.778	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H)	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5,5]C[3,5,5]C[3x5]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	112.4620	0.000	1	112.4620	0.000	1	112.4620	0.000	1	109.9778	1.778	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	4:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(CC3)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	109.9778	1.778	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	5:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](C[5a]C[3x3,4,3x5,14x6]C[5a,6a])(N[5a]C[5a,6a]Si)(H)	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a](C[5a]C[3x3,4,3x5,14x6]C[5a,6a])(N[5a]C[5a,6a]Si)(H){2|C<3>,4|B<6>}	C[5a](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|Si<4>,1|C<5>,2|C<3>,5|B<6>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<5>,1|H<1>,2|C<3>}	112.2960	0.000	1	112.2960	0.000	1	112.2960	0.000	1	112.2960	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:1:	6:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5x3,5x5,20x6]-6:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H)	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]H)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(CH3)	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H){1|C<6>,2|H<1>,4|B<6>}	C[5a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,5|B<6>,6|H<1>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<6>,1|H<1>}	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	C[5a](C[5a]N[5a]S)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	C[5a](C[5a]N[5a]S)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|H<1>}	104.6490	0.195	2	104.6490	0.038	2	104.6490	0.038	2	104.6490	0.038	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(NN)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(NN){1|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|H<1>}	104.7540	0.000	1	104.7540	0.000	1	104.7540	0.000	1	104.7540	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a])	C[5a](C[5a]N[5a]S)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a]){2|C<3>}	C[5a](C[5a]N[5a]S)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	104.5950	0.000	1	104.5950	0.000	1	104.5950	0.000	1	104.5950	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(NN)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(NN){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO){1|H<1>}	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	104.1280	0.628	2	104.1280	0.394	2	104.1620	0.201	3	103.7157	0.930	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<2>}	104.2300	0.000	1	104.2300	0.000	1	104.1620	0.201	3	103.7157	0.930	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	102.3770	0.000	1	102.3770	0.000	1	102.3770	0.000	1	103.7157	0.930	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<2>}	105.9560	0.000	1	105.9560	0.000	1	105.4067	0.221	6	105.4067	0.221	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<2>}	105.2500	0.000	1	105.2500	0.000	1	105.4067	0.221	6	105.4067	0.221	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<2>,2|C<3>}	105.3085	0.497	4	105.3085	0.247	4	105.4067	0.221	6	105.4067	0.221	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<2>}	105.2580	0.376	6	105.2580	0.142	6	105.3070	0.135	7	106.4559	10.675	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<2>}	105.6010	0.000	1	105.6010	0.000	1	105.3070	0.135	7	106.4559	10.675	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]S[5a]S)(N[5a]C[5a]C)(SAu)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SAu)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH)	C[5a](C[5a]S[5a]S)(N[5a]C[5a]C)(SAu){1|O<1>}	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(SAu){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(CCHH){1|S<2>}	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	106.4559	10.675	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	101.7480	0.000	1	101.7480	0.000	1	101.7480	0.000	1	101.7480	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	103.7243	0.284	3	103.7243	0.081	3	103.7243	0.081	3	103.7243	0.081	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	105.7860	0.000	1	105.7860	0.000	1	105.7860	0.000	1	105.0782	1.402	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[5]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[5]H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	105.2170	0.000	1	105.2170	0.000	1	104.3393	0.596	3	105.0782	1.402	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|N<3>}	103.9005	0.189	2	103.9005	0.036	2	104.3393	0.596	3	105.0782	1.402	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(OC)	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(OC){1|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO){2|H<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|N<3>}	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	105.0782	1.402	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	103.9280	0.074	2	103.9280	0.005	2	103.9280	0.005	2	104.1767	0.188	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(OC)	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(OC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	104.6740	0.000	1	104.6740	0.000	1	104.6740	0.000	1	104.1767	0.188	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<2>,2|C<3>}	106.2450	0.290	2	106.2450	0.084	2	106.2450	0.084	2	104.0150	4.886	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	101.1490	0.000	1	101.1490	0.000	1	101.1490	0.000	1	104.0150	4.886	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC)	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC){1|H<1>}	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH){1|N<3>}	103.0980	0.000	1	103.0980	0.000	1	103.0980	0.000	1	104.0150	4.886	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:3:	3:3:4:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6])	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6]){1|H<1>,1|O<1>,2|C<4>}	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H){1|C<3>,2|C<4>,4|H<1>}	103.3380	0.000	1	103.3380	0.000	1	103.3380	0.000	1	104.0150	4.886	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(SC)	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(H)	C[5a](C[5a]S[5a]C)(N[5a]C[5a]H)(SC){1|O<1>}	C[5a](C[5a]N[5a]S)(S[5a]C[5a])(CC[6a]CH){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]S)(C[5a]S[5a]O)(H){1|C<4>}	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:2:4:	4:3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	105.6370	0.477	2	105.6370	0.227	2	105.6370	0.227	2	105.6370	0.227	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5])	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5]){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|H<1>}	106.8070	0.683	2	106.8070	0.467	2	106.8070	0.467	2	106.8070	0.467	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	105.9340	0.000	1	105.9340	0.000	1	105.9340	0.000	1	106.4747	2.454	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	105.2500	0.000	1	105.2500	0.000	1	105.2500	0.000	1	106.4747	2.454	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(OH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	106.4747	2.454	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){2|C<4>,3|H<1>}	107.5530	0.000	1	107.5530	0.000	1	107.5530	0.000	1	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	109.6695	0.214	2	109.6695	0.046	2	109.6695	0.046	2	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CN){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|Cl<1>,1|O<2>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.5030	0.489	2	106.5030	0.239	2	109.8735	15.244	4	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	113.2440	0.228	2	113.2440	0.052	2	109.8735	15.244	4	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC){2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>,1|O<1>}	107.9780	0.000	1	107.9780	0.000	1	107.9822	0.006	4	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CN){2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>,1|O<1>}	107.9837	0.095	3	107.9837	0.009	3	107.9822	0.006	4	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	107.7314	0.556	9	107.7314	0.309	9	107.5135	0.534	35	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	105.3480	0.033	2	105.3480	0.001	2	107.5135	0.534	35	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	107.4990	0.428	20	107.4990	0.183	20	107.5135	0.534	35	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H){2|H<1>}	107.7885	0.063	2	107.7885	0.004	2	107.5135	0.534	35	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)2(H){2|H<1>}	108.5685	0.053	2	108.5685	0.003	2	107.5135	0.534	35	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(SC[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(SC[6]){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){2|C<3>,2|H<1>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	107.9064	2.022	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Br)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Br){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|Cl<1>,1|C<2>,2|C<3>}	104.8272	0.166	4	104.8272	0.028	4	104.8272	0.028	4	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|Cl<1>,1|C<2>,2|C<3>}	104.9280	0.082	2	104.9280	0.007	2	104.9280	0.007	2	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	105.7200	0.654	11	105.8514	0.393	15	105.8903	0.391	16	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.2127	0.413	4	105.8514	0.393	15	105.8903	0.391	16	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.4740	0.000	1	106.4740	0.000	1	105.8903	0.391	16	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	108.5060	0.000	1	108.5060	0.000	1	108.2668	0.503	13	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	108.7290	0.223	5	108.6953	0.046	6	108.2668	0.503	13	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	108.5270	0.000	1	108.6953	0.046	6	108.2668	0.503	13	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	107.4828	0.314	4	107.4804	0.074	5	108.2668	0.503	13	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.4710	0.000	1	107.4804	0.074	5	108.2668	0.503	13	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OS)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OS){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	109.3890	0.000	1	109.3890	0.000	1	108.2668	0.503	13	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	106.6229	2.083	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCO){2|H<1>}	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	108.2354	3.502	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CN)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CN){1|C<3>,1|C<4>,2|N<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,3|C<3>,3|H<1>}	108.8140	0.000	1	108.8140	0.000	1	108.8140	0.000	1	108.2354	3.502	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	109.3130	0.000	1	109.3130	0.000	1	109.3130	0.000	1	108.2354	3.502	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	108.2354	3.502	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	108.1625	0.193	2	108.1625	0.037	2	108.1625	0.037	2	108.2354	3.502	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(O)	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC){1|Rh<6>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(O){1|Rh<6>,3|C<3>}	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]N)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|C<3>}	103.9550	0.000	1	103.9550	0.000	1	103.9550	0.000	1	108.2354	3.502	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(SC){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2){2|H<1>,4|C<3>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	108.2354	3.502	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC[6a]HH){2|C<4>,3|H<1>}	107.3600	0.000	1	107.3600	0.000	1	107.5500	0.072	2	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|H<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CH3){2|C<4>,3|H<1>}	107.7400	0.000	1	107.7400	0.000	1	107.5500	0.072	2	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|I<1>,2|C<3>}	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]C)(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3){1|F<1>,1|H<1>,2|C<3>}	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	107.8425	0.295	2	107.8425	0.087	2	108.1592	0.167	6	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){1|C<3>,1|H<1>}	108.4970	0.177	3	108.4970	0.031	3	108.1592	0.167	6	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	107.7790	0.000	1	107.7790	0.000	1	108.1592	0.167	6	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	108.0420	0.486	2	108.0420	0.237	2	108.0420	0.237	2	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	108.4287	0.201	3	108.4287	0.040	3	108.4385	0.027	4	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3){2|C<3>,2|H<1>}	108.4680	0.000	1	108.4680	0.000	1	108.4385	0.027	4	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a]){1|C<4>,1|S<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(O){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|C<4>,1|O<1>}	104.2710	0.000	1	104.2710	0.000	1	104.2710	0.000	1	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(OC)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(OC){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(SC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(SC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr){2|H<1>}	108.5180	0.511	3	108.5180	0.261	3	108.5180	0.261	3	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(SC)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH)	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(SC){1|C<3>,1|N<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:S-2:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(SC)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(SC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]S)(C[5]C[5]2H){2|C<3>,2|C<4>,5|H<1>}	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	107.9633	1.082	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,1|N<3>}	123.2860	0.000	1	123.6405	0.144	4	123.6405	0.144	4	124.2094	0.719	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	123.7587	0.363	3	123.6405	0.144	4	123.6405	0.144	4	124.2094	0.719	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O){1|N<2>,2|N<3>}	123.3908	0.521	5	123.3908	0.271	5	124.3232	0.765	20	124.2094	0.719	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	124.6340	0.740	15	124.6340	0.547	15	124.3232	0.765	20	124.2094	0.719	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){3|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){3|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN){1|N<2>,1|N<3>}	124.9154	0.226	5	124.9154	0.051	5	124.9154	0.051	5	124.9855	0.599	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|N<2>,1|N<3>}	125.0438	1.072	6	125.0438	1.149	6	125.0438	1.149	6	124.9855	0.599	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){1|N<2>,1|N<3>}	125.1400	0.024	2	125.1400	0.001	2	125.1400	0.001	2	125.1400	0.001	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.4595	0.069	2	104.4595	0.005	2	104.4595	0.005	2	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	104.8370	0.000	1	104.8370	0.000	1	104.8370	0.000	1	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>}	124.7130	0.000	1	124.7130	0.000	1	124.5503	0.194	4	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	124.4260	0.000	1	124.4260	0.000	1	124.5503	0.194	4	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	124.5310	0.735	2	124.5310	0.541	2	124.5503	0.194	4	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]C)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]C)(OH){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|O<2>}	105.7855	0.078	2	105.7855	0.006	2	105.7855	0.006	2	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>}	105.1090	0.000	1	105.1090	0.000	1	104.0907	0.987	3	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH){1|C<3>}	103.1240	0.000	1	103.1240	0.000	1	104.0907	0.987	3	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H){1|C<3>}	104.0390	0.000	1	104.0390	0.000	1	104.0907	0.987	3	111.3167	96.085	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){1|C<2>,1|C<3>}	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	116.8799	67.692	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|C<2>,1|H<1>,2|C<3>}	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	116.8799	67.692	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|N<3>}	122.4180	0.000	1	123.4387	0.511	4	123.4387	0.511	4	116.8799	67.692	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	123.7790	0.268	3	123.4387	0.511	4	123.4387	0.511	4	116.8799	67.692	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(SC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(SC[6a]){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(SC[6a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,1|S<2>,2|C<3>}	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	116.8799	67.692	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,4|C<3>}	105.4390	0.000	1	105.4390	0.000	1	105.4390	0.000	1	105.4774	0.005	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OCu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OCu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.4735	0.087	2	105.4735	0.008	2	105.4870	0.006	4	105.4774	0.005	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OZn)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OZn){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.5005	0.097	2	105.5005	0.009	2	105.4870	0.006	4	105.4774	0.005	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<2>,1|N<3>}	127.7140	0.000	1	127.7140	0.000	1	127.7140	0.000	1	118.6185	89.598	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	123.6560	0.308	2	123.6067	0.055	3	123.6067	0.055	3	118.6185	89.598	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	123.5080	0.000	1	123.6067	0.055	3	123.6067	0.055	3	118.6185	89.598	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:N-2:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a]){4|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a]){4|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<4>,5|C<3>}	106.5885	1.033	2	106.5885	1.067	2	106.5885	1.067	2	118.6185	89.598	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	109.9350	0.122	2	109.9350	0.015	2	109.9350	0.015	2	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	106.2840	0.000	1	106.2840	0.000	1	105.6325	0.771	6	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|N<2>,2|C<3>}	105.0998	0.190	4	105.5022	0.837	5	105.6325	0.771	6	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	107.1120	0.000	1	105.5022	0.837	5	105.6325	0.771	6	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,1|N<3>}	124.9770	0.000	1	124.9770	0.000	1	123.8692	0.420	23	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	123.7811	0.395	7	123.7811	0.156	7	123.8692	0.420	23	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	123.4180	0.000	1	123.4180	0.000	1	123.8692	0.420	23	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	123.7249	0.257	12	123.7249	0.066	12	123.8692	0.420	23	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	124.7145	2.101	2	124.7145	4.413	2	123.8692	0.420	23	119.4405	59.630	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:2:	4:3:2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[3x6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN){2|C<3>,3|C<4>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[3x6]C[6,6]3)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,3|C<4>,6|H<1>}	105.3328	0.530	4	105.3328	0.281	4	105.3328	0.281	4	105.3328	0.281	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN){1|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	104.7177	0.091	3	104.7177	0.008	3	104.7177	0.008	3	105.5290	2.639	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(OMo)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(OMo){1|C<2>,1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	105.5290	2.639	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<2>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|N<2>,1|N<3>}	105.5070	0.000	1	105.7015	0.076	2	105.7015	0.076	2	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	105.8960	0.000	1	105.7015	0.076	2	105.7015	0.076	2	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O){2|C<3>}	107.7670	0.000	1	107.7670	0.000	1	108.1021	1.079	17	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.7790	0.358	2	107.7790	0.128	2	108.1021	1.079	17	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	108.5456	0.570	8	108.5456	0.325	8	108.1021	1.079	17	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	108.5443	0.292	3	108.5443	0.085	3	108.1021	1.079	17	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	108.8670	0.000	1	108.8670	0.000	1	108.1021	1.079	17	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OCu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OCu){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	106.3940	0.000	1	106.3940	0.000	1	108.1021	1.079	17	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(ORu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(ORu){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.1510	0.000	1	105.1510	0.000	1	108.1021	1.079	17	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3){2|C<3>}	108.2820	0.000	1	108.2820	0.000	1	108.2600	0.213	3	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	108.2490	0.652	2	108.2490	0.425	2	108.2600	0.213	3	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SC[6a]){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN){1|C<4>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	106.7900	0.429	2	106.7900	0.184	2	106.7900	0.184	2	107.8092	1.291	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CN)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CN){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	109.0840	0.013	2	109.0840	0.000	2	109.0840	0.000	2	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	106.9220	0.000	1	106.9220	0.000	1	107.5550	2.585	8	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	108.1015	1.753	4	108.1015	3.074	4	107.5550	2.585	8	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	106.0080	0.342	2	106.0080	0.117	2	107.5550	2.585	8	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){4|C<3>}	109.0960	0.000	1	109.0960	0.000	1	107.5550	2.585	8	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(OC){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(H){2|C<3>}	109.7259	0.177	11	109.7259	0.031	11	109.7259	0.031	11	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,3|C<3>}	109.9530	0.000	1	109.9530	0.000	1	109.5940	0.258	2	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,3|C<3>}	109.2350	0.000	1	109.2350	0.000	1	109.5940	0.258	2	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(SC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(SC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H){1|C<3>,1|H<1>}	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	108.7781	1.928	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OBa)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OBa){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	103.7880	0.000	1	103.7880	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.1710	0.000	1	108.1710	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.7100	0.000	1	108.7100	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCH){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.6560	0.226	5	108.6560	0.051	5	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.5145	0.409	2	108.5145	0.168	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.2867	0.386	4	108.2867	0.149	4	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.3310	0.000	1	105.3310	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.5210	0.089	2	105.5210	0.008	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.3920	0.000	1	105.3920	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.5511	0.341	8	106.5511	0.116	8	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.6040	0.000	1	105.6040	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.9005	0.218	2	106.9005	0.048	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OFe)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OFe){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.5185	1.194	2	106.5185	1.426	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[5a]O){1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.9910	0.000	1	107.9910	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	108.2440	0.000	1	108.2440	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]O){3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	108.1300	0.000	1	108.1300	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	107.7540	0.782	5	107.7540	0.612	5	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.1527	0.436	8	108.1527	0.190	8	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]C){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.2940	0.000	1	107.2940	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5]H){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	107.0370	0.000	1	107.0370	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]C){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.2445	0.650	2	107.2445	0.422	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.3190	0.700	2	107.3190	0.490	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.6954	0.591	8	108.6954	0.349	8	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.2920	0.834	3	106.2920	0.696	3	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.2180	0.000	1	106.2180	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.8870	0.243	3	107.8870	0.059	3	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.6493	0.045	3	106.6493	0.002	3	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.0980	0.000	1	105.0980	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.2530	0.610	4	106.2530	0.372	4	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.3315	0.186	2	105.3315	0.035	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORh)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORh){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.3275	0.242	4	105.3275	0.059	4	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.3340	0.962	2	107.3340	0.925	2	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.9030	0.287	4	105.9030	0.082	4	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[3x6]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[3x6]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.6690	0.000	1	106.6690	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.9580	0.518	5	105.9580	0.268	5	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.6138	0.257	4	106.6138	0.066	4	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.9965	0.597	4	105.9965	0.357	4	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OSn)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OSn){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.8520	0.000	1	106.8520	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.5350	0.000	1	105.5350	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.8600	0.000	1	105.8600	0.000	1	107.0127	1.507	105	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a])	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.3295	0.083	2	108.3295	0.007	2	108.3295	0.007	2	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a]){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHN){1|C<3>}	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.2430	0.000	1	107.2430	0.000	1	107.0830	0.122	3	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHO)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a]){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(CHO){1|C<3>}	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.0030	0.454	2	107.0030	0.206	2	107.0830	0.122	3	107.0367	1.458	111	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:O-2:	C-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(OCu)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(OCu){1|C<3>,1|N<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O){1|Cu<5>,2|H<1>,3|C<3>}	108.2875	0.252	2	108.2875	0.064	2	108.2875	0.064	2	107.8917	0.337	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:S-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(C[5a]N[5a]S){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.8917	0.337	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(NCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(CN){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(NCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	107.8917	0.337	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(CC[6a]O){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.7870	0.000	1	108.7870	0.000	1	107.9203	0.565	3	107.8917	0.337	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[5a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.5280	0.000	1	107.5280	0.000	1	107.9203	0.565	3	107.8917	0.337	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]O)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.4460	0.000	1	107.4460	0.000	1	107.9203	0.565	3	107.8917	0.337	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CSiC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CSiC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6])	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	106.8200	0.000	1	106.8200	0.000	1	106.8200	0.000	1	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,5a]-3:C[5a]-3:N-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NCH)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NCH){2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	106.1940	0.000	1	106.1940	0.000	1	106.1940	0.000	1	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	107.1880	0.000	1	107.1880	0.000	1	107.1880	0.000	1	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH){2|C<3>}	104.9330	0.136	2	104.9330	0.018	2	104.9330	0.018	2	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(OCu)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(NCuN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(OCu){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(NCuN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	107.2040	0.000	1	107.2040	0.000	1	107.2040	0.000	1	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>}	107.3385	0.274	2	107.3385	0.075	2	107.3385	0.075	2	106.9710	1.891	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:2:3:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H){1|C<3>,1|C<4>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	110.7400	0.000	2	110.7400	0.000	2	110.2532	0.253	5	110.2532	0.253	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){2|C<4>}	109.7370	0.000	2	109.7370	0.000	2	110.2532	0.253	5	110.2532	0.253	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	110.3120	0.000	1	110.3120	0.000	1	110.2532	0.253	5	110.2532	0.253	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.0740	0.000	1	108.0740	0.000	1	108.6771	0.077	8	108.6271	0.582	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	108.8167	0.167	4	108.8167	0.028	4	108.6771	0.077	8	108.6271	0.582	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.7450	0.000	1	108.7450	0.000	1	108.6771	0.077	8	108.6271	0.582	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	108.6655	0.078	2	108.6655	0.006	2	108.6771	0.077	8	108.6271	0.582	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	N[5a](C[5a]C[5a]N)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5]){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)2(H){2|C<4>}	107.5650	0.178	2	107.5650	0.032	2	107.5650	0.032	2	108.6271	0.582	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:Se-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SeC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Se)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SeC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Se)(H){1|C<4>,1|H<1>,2|C<3>}	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	108.6271	0.582	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HH){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.8355	0.287	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCCH){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.7230	0.000	1	108.7230	0.000	1	109.0076	0.264	8	108.8355	0.287	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	109.1508	0.621	5	109.1508	0.385	5	109.0076	0.264	8	108.8355	0.287	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.6660	0.000	1	108.6660	0.000	1	109.0076	0.264	8	108.8355	0.287	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.9180	0.000	1	108.9180	0.000	1	109.0076	0.264	8	108.8355	0.287	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[5]C[5]2N){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.5330	0.079	2	108.5330	0.006	2	108.5330	0.006	2	108.8355	0.287	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	109.5735	0.635	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(CC)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(SiC3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(CC){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(SiC3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|H<1>,4|C<3>}	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	109.5735	0.635	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.8690	0.110	2	110.8690	0.012	2	110.8690	0.012	2	110.6372	0.134	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	110.6372	0.134	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.2100	0.000	1	110.2100	0.000	1	110.6433	0.159	3	110.6372	0.134	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.8600	0.192	2	110.8600	0.037	2	110.6433	0.159	3	110.6372	0.134	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.0200	0.279	2	108.0200	0.078	2	108.0200	0.078	2	108.5142	0.236	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a])	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.9240	0.113	2	108.9240	0.013	2	108.9240	0.013	2	108.5142	0.236	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:2:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:O-2:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(OC)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(OC){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	108.5142	0.236	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]O[5a]O)(N[5a]N[5a]O)(COO)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC)	C[5a](C[5a]O[5a]O)(N[5a]N[5a]O)(COO)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC){1|O<1>}	104.1360	0.000	1	104.1360	0.000	1	104.1360	0.000	1	104.1360	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH)	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|S<2>}	99.4744	0.000	1	99.4744	0.000	1	101.4092	7.487	2	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	103.3440	0.000	1	103.3440	0.000	1	101.4092	7.487	2	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|Br<1>,2|C<3>}	102.9910	0.000	1	102.9910	0.000	1	102.9910	0.000	1	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	103.0870	0.000	1	103.0870	0.000	1	103.3668	0.170	5	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H){1|H<1>,2|C<3>}	103.1180	0.000	1	103.1180	0.000	1	103.3668	0.170	5	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	103.5430	0.472	3	103.5430	0.223	3	103.3668	0.170	5	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	104.4435	0.168	2	104.4435	0.028	2	104.3640	0.033	3	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	104.2050	0.000	1	104.2050	0.000	1	104.3640	0.033	3	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	103.4790	0.592	6	103.4790	0.351	6	103.4790	0.351	6	103.3300	1.302	17	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	104.6070	0.000	1	104.6070	0.000	1	104.6070	0.000	1	104.4819	0.355	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cl<1>}	104.0470	0.103	2	104.0470	0.011	2	103.8875	0.037	4	104.4819	0.355	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)(CHO){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Cl<1>}	103.7280	0.000	2	103.7280	0.000	2	103.8875	0.037	4	104.4819	0.355	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[5]H){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	104.9030	0.000	1	104.9030	0.000	1	105.0450	0.009	4	104.4819	0.355	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CHN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|H<1>}	105.0930	0.000	1	105.0930	0.000	1	105.0450	0.009	4	104.4819	0.355	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CHN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	105.0920	0.007	2	105.0920	0.000	2	105.0450	0.009	4	104.4819	0.355	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	105.1130	0.000	1	105.1130	0.000	1	105.1130	0.000	1	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	105.2580	0.000	1	105.2580	0.000	1	105.2580	0.000	1	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	103.0780	0.051	2	103.0780	0.003	2	103.2303	0.071	3	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	103.5350	0.000	1	103.5350	0.000	1	103.2303	0.071	3	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO){2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	105.5410	0.000	1	105.4736	0.060	16	105.4643	0.053	19	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO){2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	105.4691	0.253	15	105.4736	0.060	16	105.4643	0.053	19	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O){2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	105.5410	0.000	1	105.5410	0.000	1	105.4643	0.053	19	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHN)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHN){2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	105.2580	0.000	1	105.2580	0.000	1	105.4643	0.053	19	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHO)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHO){2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	105.4450	0.000	1	105.4450	0.000	1	105.4643	0.053	19	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O)	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O){3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	104.8630	0.000	1	104.8630	0.000	1	104.8630	0.000	1	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	104.5110	0.000	1	104.5110	0.000	1	104.5110	0.000	1	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	103.8190	0.000	1	103.6443	0.033	3	103.6443	0.033	3	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	103.5570	0.144	2	103.6443	0.033	3	103.6443	0.033	3	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	105.2655	0.296	2	105.2655	0.088	2	105.2655	0.088	2	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	105.2834	0.196	8	105.2834	0.038	8	105.2834	0.038	8	105.0510	0.567	39	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NHH){1|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CHH){1|H<1>}	105.6330	0.000	1	105.6330	0.000	1	105.6330	0.000	1	105.2325	0.321	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	105.2325	0.321	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,1|O<2>}	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,1|O<2>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	105.5370	0.000	1	105.2485	0.166	2	104.7974	0.206	8	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	104.9600	0.000	1	105.2485	0.166	2	104.7974	0.206	8	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	105.0130	0.000	1	105.0130	0.000	1	104.7974	0.206	8	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	105.1170	0.000	1	105.1170	0.000	1	104.7974	0.206	8	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	104.1360	0.000	1	104.4380	0.067	4	104.7974	0.206	8	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	104.5387	0.199	3	104.4380	0.067	4	104.7974	0.206	8	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHO){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	103.3400	0.135	3	103.3400	0.018	3	103.3400	0.018	3	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6a]C){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,1|N<3>}	102.7100	0.000	1	102.7100	0.000	1	102.7100	0.000	1	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	107.6000	0.000	1	107.3848	0.201	43	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|H<1>}	107.3796	0.453	42	107.3848	0.201	43	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	107.9342	0.575	4	107.9436	0.249	5	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CH3){1|H<1>}	107.9810	0.000	1	107.9436	0.249	5	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|H<1>}	107.6950	0.000	1	107.6950	0.000	1	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|S<2>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|H<1>}	107.4080	0.000	1	107.4080	0.000	1	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,1|N<3>}	108.4490	0.368	2	108.4490	0.135	2	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,2|C<3>}	107.6090	0.078	2	107.6090	0.006	2	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N[5])(C[5a]C[5a]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	107.0840	0.000	1	107.0840	0.000	1	107.4830	0.244	55	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	105.5100	0.000	1	105.5100	0.000	1	105.5100	0.000	1	106.8668	1.879	69	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:P-3:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]H)(PC[6a]2)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]P)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]H)(PC[6a]2){1|Fe<10>,2|C<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]P)(N[5a]N[5a]){2|H<1>,3|C<4>}	103.2540	0.000	1	103.2540	0.000	1	103.2540	0.000	1	103.2540	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H){2|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CN){1|C<2>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|O<2>,2|C<2>}	103.2860	0.000	1	103.2860	0.000	1	103.2860	0.000	1	102.8780	0.162	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CN){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|C<2>,1|C<3>,1|S<2>}	102.8670	0.000	1	102.8670	0.000	1	102.8670	0.000	1	102.8780	0.162	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<2>,2|C<3>}	102.4810	0.000	1	102.4810	0.000	1	102.4810	0.000	1	102.8780	0.162	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	103.5320	0.115	2	103.5320	0.013	2	103.3160	0.074	6	103.3160	0.074	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	103.0877	0.145	3	103.0877	0.021	3	103.3160	0.074	6	103.3160	0.074	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	103.5690	0.000	1	103.5690	0.000	1	103.3160	0.074	6	103.3160	0.074	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(SC){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|S<2>,4|C<3>}	103.3120	0.000	1	103.3120	0.000	1	103.3120	0.000	1	104.9820	3.612	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CCC)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CCC){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|N<2>,2|C<3>}	104.5840	0.000	1	104.5840	0.000	1	104.5840	0.000	1	104.9820	3.612	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(OC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(OC){2|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|O<2>}	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	104.9820	3.612	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|H<1>,4|C<3>}	103.0230	0.103	2	103.0230	0.011	2	103.0230	0.011	2	103.4312	0.161	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(OH){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	103.4110	0.000	1	103.4110	0.000	1	103.4110	0.000	1	103.4312	0.161	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	103.5640	0.000	1	103.7100	0.113	3	103.7100	0.113	3	103.4312	0.161	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|C<3>,2|H<1>}	103.7830	0.440	2	103.7100	0.113	3	103.7100	0.113	3	103.4312	0.161	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(NHH){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH){1|C<2>}	103.6670	0.000	1	103.6670	0.000	1	103.6670	0.000	1	103.6670	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(CCC)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(CCC){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[6a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|N<2>,2|C<3>}	104.4790	0.000	1	104.4790	0.000	1	104.4790	0.000	1	104.0095	0.441	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]S)(N[5a]C[5a]C)(CHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]S)(N[5a]C[5a]C)(CHN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SH){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|S<2>}	103.5400	0.000	1	103.5400	0.000	1	103.5400	0.000	1	104.0095	0.441	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(COO){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|O<2>,2|C<3>}	103.2600	0.000	1	103.2600	0.000	1	103.2600	0.000	1	103.6940	0.377	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>}	104.1280	0.000	1	104.1280	0.000	1	104.1280	0.000	1	103.6940	0.377	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	103.6540	0.000	1	103.6540	0.000	1	103.6540	0.000	1	103.6477	2.754	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH){1|N<3>}	101.9850	0.000	1	101.9850	0.000	1	103.6445	5.508	2	103.6477	2.754	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH){1|N<3>}	105.3040	0.000	1	105.3040	0.000	1	103.6445	5.508	2	103.6477	2.754	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH){3|C<3>}	104.9830	0.000	1	104.9830	0.000	1	104.9830	0.000	1	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	104.1000	0.167	2	104.1000	0.028	2	103.8798	0.227	6	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	103.4415	0.687	2	103.4415	0.471	2	103.8798	0.227	6	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COW)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COW){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH){3|C<3>}	103.9260	0.000	1	103.9260	0.000	1	103.8798	0.227	6	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COW)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COW){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	104.2700	0.000	1	104.2700	0.000	1	103.8798	0.227	6	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	101.9100	0.000	1	101.9100	0.000	1	101.9100	0.000	1	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	103.8660	0.000	1	103.8660	0.000	1	104.0685	0.082	2	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	104.2710	0.000	1	104.2710	0.000	1	104.0685	0.082	2	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CNO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.2110	0.000	1	104.2110	0.000	1	104.2110	0.000	1	103.8655	0.649	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){3|C<3>}	105.6130	0.000	1	105.6130	0.000	1	104.7894	0.235	5	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	104.6450	0.255	2	104.6450	0.065	2	104.7894	0.235	5	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	104.6000	0.000	1	104.6000	0.000	1	104.7894	0.235	5	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	104.4440	0.000	1	104.4440	0.000	1	104.7894	0.235	5	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,4|C<3>}	103.0410	0.000	1	103.0410	0.000	1	103.0410	0.000	1	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CNN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CNN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	105.1607	0.602	3	105.1607	0.362	3	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CNO){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	104.5250	0.701	2	104.5250	0.492	2	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CNO){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	104.3720	0.000	1	104.3720	0.000	1	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	105.0480	0.000	1	105.0480	0.000	1	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	105.2725	0.329	4	105.2725	0.108	4	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	105.2355	0.455	2	105.2355	0.207	2	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	105.1435	0.453	2	105.1986	0.153	5	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){3|C<3>}	105.2353	0.444	3	105.1986	0.153	5	105.0837	0.221	18	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(COO){1|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	104.2700	0.000	1	104.2700	0.000	1	104.2700	0.000	1	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CNO){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NCH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	104.4100	0.000	1	104.4100	0.000	1	104.4100	0.000	1	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H){5|C<3>}	104.8473	0.649	3	104.8473	0.422	3	104.5263	0.694	4	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){5|C<3>}	103.5630	0.000	1	103.5630	0.000	1	104.5263	0.694	4	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){2|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|N<3>}	105.7690	0.051	2	105.7690	0.003	2	105.7690	0.003	2	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|N<3>,2|C<3>}	104.5850	0.000	1	104.5850	0.000	1	104.5850	0.000	1	104.8910	0.429	33	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(COO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	104.7010	0.262	2	104.7010	0.068	2	104.7010	0.068	2	103.3759	1.190	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCC){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.0345	0.255	2	103.0345	0.065	2	103.4007	0.628	6	103.3759	1.190	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	102.7715	0.176	2	102.7715	0.031	2	103.4007	0.628	6	103.3759	1.190	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.3960	0.066	2	104.3960	0.004	2	103.4007	0.628	6	103.3759	1.190	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCH){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	104.7350	0.000	1	104.7350	0.000	1	104.0330	0.986	2	103.3759	1.190	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	103.3310	0.000	1	103.3310	0.000	1	104.0330	0.986	2	103.3759	1.190	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NOO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	102.0050	0.175	3	102.0050	0.031	3	102.0050	0.031	3	103.3759	1.190	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|N<3>,4|C<3>}	104.1250	0.000	1	104.1250	0.000	1	104.1250	0.000	1	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCF)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCF)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCF){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCF){3|C<3>}	104.7890	0.000	1	104.7890	0.000	1	104.7890	0.000	1	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(NHH){1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NHH){1|N<3>}	103.9650	0.000	1	103.9650	0.000	1	104.3375	0.278	2	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH){1|N<3>}	104.7100	0.000	1	104.7100	0.000	1	104.3375	0.278	2	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.0750	0.000	1	105.0750	0.000	1	105.0750	0.000	1	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CNO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CNO){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	103.7580	0.000	1	103.7580	0.000	1	103.7580	0.000	1	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|F<1>,3|C<3>}	105.2700	0.000	1	105.3925	0.030	2	105.3925	0.030	2	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(NHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	105.5150	0.000	1	105.3925	0.030	2	105.3925	0.030	2	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	106.2405	1.715	2	106.2405	2.940	2	106.2405	2.940	2	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:N[6]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(N[6]C[6]2)	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO){1|C<3>,3|C<4>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	102.6440	0.000	1	102.6440	0.000	1	102.6440	0.000	1	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	N[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,6|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.8010	0.000	1	105.8010	0.000	1	105.8010	0.000	1	104.8444	1.434	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CC[5a]O){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|N<3>,4|C<3>}	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	105.1550	0.000	1	105.1550	0.000	1	105.1550	0.000	1	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	103.0487	0.357	3	103.0487	0.127	3	103.0374	0.068	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NOO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	103.0205	0.128	2	103.0205	0.016	2	103.0374	0.068	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCH){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	105.1200	0.000	1	105.1200	0.000	1	105.2216	0.172	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHN){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	105.9580	0.000	1	105.9580	0.000	1	105.2216	0.172	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CHO){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	105.0060	0.000	1	105.0060	0.000	1	105.2216	0.172	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(COO){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	105.0120	0.051	2	105.0120	0.003	2	105.2216	0.172	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|C<3>}	106.0310	0.000	1	106.0310	0.000	1	106.2982	1.233	9	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NHH){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH){1|C<3>}	105.2595	0.396	4	105.2595	0.157	4	106.2982	1.233	9	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	107.5690	0.088	2	107.5690	0.008	2	106.2982	1.233	9	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHN)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	107.2385	0.069	2	107.2385	0.005	2	106.2982	1.233	9	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){2|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|N<3>}	105.1060	0.000	1	105.1060	0.000	1	105.6836	0.234	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	105.9465	0.600	2	105.9465	0.360	2	105.6836	0.234	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	105.9360	0.000	1	105.9360	0.000	1	105.6836	0.234	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN){1|N<3>}	105.4830	0.000	1	105.4830	0.000	1	105.6836	0.234	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:N[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a]C)(NOO){1|H<1>,2|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2){3|C<4>,5|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	106.3290	0.271	5	106.3290	0.073	5	106.3290	0.073	5	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N[6]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2)	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2){3|C<4>,4|H<1>}	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO){4|C<4>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(CH3){1|N<3>,2|C<4>}	103.3755	0.223	4	103.3755	0.050	4	103.1589	0.113	9	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:N[6]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2)	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2){2|C<4>,5|H<1>}	C[5a](C[5a]N[5a]N[6])(N[5a]C[5a])(NOO){1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<4>}	102.9856	0.322	5	102.9856	0.104	5	103.1589	0.113	9	104.9286	2.292	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:4:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO){1|H<1>,2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:4:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C[6a]-3:B[5a]-4:C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]O[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C)	C[5a](N[5a]B[5a]C[6a])(C[5a]O[5a]C)(CCH){2|C<3>,2|F<1>}	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<3>,2|F<1>}	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C){1|H<1>,1|N<2>,3|C<3>}	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	4:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	104.4040	0.000	1	104.4040	0.000	1	104.4040	0.000	1	104.4040	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	4:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	B[5a]-4:C[5a]-3:C-4:	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH){2|F<1>}	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<4>,2|F<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCCH){1|C<3>}	107.7743	0.678	3	107.7743	0.459	3	107.7655	0.233	6	107.7655	0.233	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	4:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	B[5a]-4:C[5a]-3:C-4:	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH){2|F<1>}	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<4>,2|F<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CCHH){1|C<3>}	107.6470	0.417	2	107.6470	0.174	2	107.7655	0.233	6	107.7655	0.233	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	4:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	B[5a]-4:C[5a]-3:C-4:	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(CCH){2|F<1>}	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<4>,2|F<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]C)(CC[6a]HH){1|C<3>}	107.9760	0.000	1	107.9760	0.000	1	107.7655	0.233	6	107.7655	0.233	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	104.9818	0.223	4	104.9818	0.050	4	104.5493	0.162	10	104.6280	0.201	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHN){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	104.2625	0.138	4	104.2625	0.019	4	104.5493	0.162	10	104.6280	0.201	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CHHO){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	104.2580	0.091	2	104.2580	0.008	2	104.5493	0.162	10	104.6280	0.201	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2Ir)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2Ir){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	104.2965	0.151	2	104.2965	0.023	2	104.6546	0.249	9	104.6280	0.201	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2O)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2O){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<3>,1|N<3>,1|P<4>}	104.4440	0.062	2	104.4440	0.004	2	104.6546	0.249	9	104.6280	0.201	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2Pd){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	104.8820	0.583	5	104.8820	0.340	5	104.6546	0.249	9	104.6280	0.201	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	104.6280	0.201	20	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(H)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(H){1|C<4>,2|C<3>}	105.7435	0.136	2	105.7435	0.019	2	105.7435	0.019	2	104.8402	0.727	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	104.2380	0.293	3	104.2380	0.086	3	104.2380	0.086	3	104.8402	0.727	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	105.2855	0.694	2	105.2855	0.481	2	105.2855	0.481	2	104.9032	0.468	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Si-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(SiC3){3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	104.9910	0.000	1	104.9910	0.000	1	104.9910	0.000	1	104.9032	0.468	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(PC[6a]2Cu)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(PC[6a]2Cu){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|H<1>,4|C<3>}	103.8740	0.000	1	103.8740	0.000	1	103.8740	0.000	1	104.9032	0.468	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:Si-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SiC3){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	104.9032	0.468	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	105.3515	0.187	2	105.3515	0.035	2	105.3515	0.035	2	105.3515	0.035	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	105.9420	0.000	1	105.9420	0.000	1	105.9420	0.000	1	106.0083	0.876	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|C<4>,2|C<3>}	105.7380	0.000	1	105.7380	0.000	1	105.3990	0.230	2	106.0083	0.876	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HS){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	105.0600	0.000	1	105.0600	0.000	1	105.3990	0.230	2	106.0083	0.876	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NOO){1|C<4>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHS){2|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CCHH){1|C<4>}	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	106.0083	0.876	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:6:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:S-6:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]F4){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<6>,2|C<3>}	102.7170	0.000	1	102.7170	0.000	1	102.7170	0.000	1	102.7170	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	105.6470	0.000	1	105.6470	0.000	1	106.5683	0.706	3	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	106.7660	0.000	1	106.7660	0.000	1	106.5683	0.706	3	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(H){1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	107.2920	0.000	1	107.2920	0.000	1	106.5683	0.706	3	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.1110	0.523	3	106.1110	0.273	3	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	106.7240	0.000	1	106.7240	0.000	1	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	104.9380	0.000	1	105.3283	0.196	12	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	104.5450	0.000	1	105.3283	0.196	12	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.4456	0.373	10	105.3283	0.196	12	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	104.8920	0.000	1	106.4768	0.808	5	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	106.8730	0.176	4	106.4768	0.808	5	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	105.4450	0.000	1	106.2797	0.236	10	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	106.3724	0.410	9	106.2797	0.236	10	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.4245	0.848	2	105.8259	0.672	21	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.4100	0.000	1	105.8259	0.672	21	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	107.0140	0.000	1	105.8259	0.672	21	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.8277	0.822	17	105.8259	0.672	21	105.8946	0.577	52	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.3040	0.000	1	107.3040	0.000	1	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.1290	0.000	1	106.1290	0.000	1	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCO){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.6790	0.000	1	105.6790	0.000	1	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3820	0.105	2	106.3820	0.011	2	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO){1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	107.5740	0.000	1	107.5740	0.000	1	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.4640	0.708	3	106.2096	0.426	7	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0187	0.636	4	106.2096	0.426	7	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.4560	0.000	1	107.4560	0.000	1	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	107.8010	0.262	2	107.8010	0.068	2	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.4763	0.459	38	106.4889	0.211	39	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.9680	0.000	1	106.4889	0.211	39	106.5281	0.336	55	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])2(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]C[5])2(H){1|H<1>,2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	106.3820	0.000	1	106.3820	0.000	1	106.3820	0.000	1	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NCH)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NCH){1|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	106.5830	0.000	1	106.5830	0.000	1	106.2151	0.302	17	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.6030	0.639	3	106.3068	0.339	6	106.2151	0.302	17	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	106.0107	0.420	3	106.3068	0.339	6	106.2151	0.302	17	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	106.1744	0.574	9	106.1233	0.319	10	106.2151	0.302	17	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	105.6630	0.000	1	106.1233	0.319	10	106.2151	0.302	17	106.2510	0.535	130	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC){1|H<1>,3|C<3>}	105.5140	0.000	1	105.5140	0.000	1	105.2658	0.236	6	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|H<1>,3|C<3>}	105.2830	0.582	4	105.2830	0.339	4	105.2658	0.236	6	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	104.9490	0.000	1	104.9490	0.000	1	105.2658	0.236	6	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(I)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(I){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|I<1>,3|C<3>}	105.3270	0.000	1	105.3270	0.000	1	105.3270	0.000	1	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCO){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC[6a]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC[6a]H){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	106.4820	0.000	1	106.4820	0.000	1	106.1260	0.059	4	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	106.0073	0.061	3	106.0073	0.004	3	106.1260	0.059	4	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	105.5530	0.000	1	105.5530	0.000	1	105.5530	0.000	1	105.6812	0.396	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(H){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	107.3810	0.000	1	107.3810	0.000	1	106.3790	2.008	2	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|S<2>,2|C<3>}	105.3770	0.000	1	105.3770	0.000	1	106.3790	2.008	2	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(I)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(I){1|C<4>,2|N<2>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|I<1>,2|N<2>}	105.9410	0.000	1	105.9410	0.000	1	105.9410	0.000	1	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]Br)(Br)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B){1|Br<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]Br)(Br){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	106.7040	1.360	3	106.7040	1.851	3	106.7040	1.851	3	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,3|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	106.2878	0.127	4	106.2878	0.016	4	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>,2|C<3>}	106.6360	0.000	1	106.6360	0.000	1	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	106.1480	0.000	1	106.1480	0.000	1	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){2|C<3>,2|H<1>}	106.2410	0.000	1	106.2410	0.000	1	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	105.4150	0.000	1	105.4150	0.000	1	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	105.8950	0.068	2	105.8950	0.005	2	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	105.9680	0.332	2	105.9680	0.110	2	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	103.6690	0.000	1	103.6690	0.000	1	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH){1|H<1>,3|C<3>}	105.8590	0.000	1	105.8590	0.000	1	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	105.9937	0.342	3	105.9937	0.117	3	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	105.9220	0.330	2	105.9220	0.109	2	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	105.6777	0.182	6	105.6777	0.033	6	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	106.0425	0.179	2	106.0425	0.032	2	105.8823	0.292	27	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:B[5]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2)	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]H)(Cl)	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2){1|H<1>,2|C<4>}	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]H)(Cl){1|C<4>,2|O<2>}	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|O<2>}	103.7880	0.000	1	103.7880	0.000	1	103.7880	0.000	1	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO)	C[5a](C[5a]N[5a]C)2(Cl)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO){1|C<4>}	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	105.8005	0.343	2	105.8005	0.118	2	105.1818	0.559	4	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN)	C[5a](C[5a]N[5a]C)2(Cl)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN){1|C<4>}	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	104.4470	0.000	1	104.4470	0.000	1	105.1818	0.559	4	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO)	C[5a](C[5a]N[5a]C)2(Cl)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO){1|C<4>}	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	104.6790	0.000	1	104.6790	0.000	1	105.1818	0.559	4	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	106.3930	0.000	1	106.3930	0.000	1	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	106.7267	0.135	3	106.7267	0.018	3	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	106.6150	0.000	1	106.6150	0.000	1	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	106.9610	0.156	3	106.9610	0.024	3	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	106.4552	0.299	5	106.4552	0.089	5	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	106.6349	0.285	15	106.6349	0.081	15	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	105.9310	0.000	1	105.9310	0.000	1	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	106.7880	0.324	2	106.7880	0.105	2	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.8640	0.000	1	107.0785	0.092	2	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.2930	0.000	1	107.0785	0.092	2	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	106.7840	0.000	1	106.7840	0.000	1	106.6564	0.100	34	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO)	C[5a](C[5a]N[5a]N)2(Cl)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(Cl){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|Cl<1>,1|N<3>}	108.6330	0.033	2	108.6330	0.001	2	108.6330	0.001	2	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NCH){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.2247	0.209	3	107.2247	0.044	3	107.8793	1.376	6	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|H<1>}	106.8580	0.000	1	106.8580	0.000	1	107.8793	1.376	6	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NOO)	C[5a](C[5a]N[5a]N)2(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(H){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	109.3720	0.081	2	109.3720	0.006	2	107.8793	1.376	6	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NCH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NCH){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(H){1|C<3>,1|S<2>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H){1|C<4>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	105.5530	0.182	2	105.5530	0.033	2	105.5530	0.033	2	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	105.9720	0.000	1	105.9720	0.000	1	105.9720	0.000	1	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	107.5280	0.000	1	107.5280	0.000	1	107.5280	0.000	1	106.4054	0.901	86	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	105.9222	0.600	18	105.9551	0.361	19	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.5470	0.000	1	105.9551	0.361	19	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	105.7157	0.237	4	105.7157	0.056	4	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	104.7610	0.092	2	104.7610	0.008	2	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	109.1090	0.537	2	106.3217	1.500	112	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.2770	1.200	104	106.3217	1.500	112	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.1672	0.636	6	106.3217	1.500	112	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.2588	2.234	9	107.2588	4.992	9	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	105.7765	0.336	2	105.7765	0.113	2	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Ni)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Ni<4>,1|C<3>}	C[5a](C[5a]C[5a]Ni)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|Ni<4>,1|H<1>}	107.6610	0.000	1	107.6610	0.000	1	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Pd)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>}	C[5a](C[5a]C[5a]Pd)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|Pd<4>,1|H<1>}	106.0560	0.000	1	106.0560	0.000	1	106.2944	1.560	150	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Br)(Br)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H){2|Br<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Br)(Br){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){2|Br<1>,1|C<3>,1|N<2>}	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]F)(F)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H){1|C<3>,1|F<1>,1|N<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]F)(F){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|F<1>}	106.2125	0.022	2	106.2125	0.000	2	106.2125	0.000	2	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.6920	0.000	1	106.6920	0.000	1	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	105.7000	0.000	1	105.7000	0.000	1	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.8060	0.000	1	107.5295	1.047	2	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	108.2530	0.000	1	107.5295	1.047	2	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.5450	0.132	2	107.9287	3.711	25	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.6090	0.000	1	107.9287	3.711	25	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	106.5220	0.568	4	107.9287	3.711	25	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	108.3017	2.132	18	107.9287	3.711	25	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C[6])(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C[6])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	108.0690	0.000	1	108.0690	0.000	1	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	107.7160	0.018	2	107.8502	0.321	6	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	108.5400	0.000	2	107.8502	0.321	6	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	107.2945	0.016	2	107.8502	0.321	6	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])2(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])2(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.4115	0.235	2	107.4115	0.055	2	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H){1|N<2>,2|H<1>,3|C<3>}	107.2750	0.000	1	107.2750	0.000	1	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|B<4>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	107.3170	0.161	2	107.3170	0.026	2	107.7456	2.475	41	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]S)(H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]N[5a]S)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|Br<1>}	106.5298	0.889	4	106.5298	0.791	4	106.1232	1.420	5	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){2|Br<1>,1|C<3>,1|N<2>}	104.4970	0.000	1	104.4970	0.000	1	106.1232	1.420	5	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	107.1790	0.000	1	107.1790	0.000	1	108.6402	0.805	5	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	109.0310	0.000	1	109.0055	0.183	4	108.6402	0.805	5	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	108.9970	0.524	3	109.0055	0.183	4	108.6402	0.805	5	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]Br)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]Br)(N[5a]C[5a]H){3|Br<1>,1|B<4>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(H){2|Br<1>,1|C<3>,1|N<3>}	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(Cl)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Cl)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.5120	0.672	2	108.5120	0.451	2	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	105.8860	0.098	2	105.8860	0.010	2	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	105.4865	1.040	2	105.4865	1.082	2	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<2>,1|N<3>,2|H<1>}	108.0340	0.000	1	108.0340	0.000	1	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	106.9460	2.469	4	106.8347	1.123	39	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.1327	0.055	3	106.8347	1.123	39	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Re<6>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.1950	0.000	1	106.8347	1.123	39	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Rh<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.5090	0.000	1	106.8347	1.123	39	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.4280	0.573	2	106.8347	1.123	39	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.7790	0.911	28	106.8347	1.123	39	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	107.1590	0.342	2	106.9743	0.215	27	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	106.5696	0.203	5	106.9743	0.215	27	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Zn<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	107.3380	0.314	2	106.9743	0.215	27	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	107.0038	0.539	13	106.9743	0.215	27	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	107.0832	0.349	5	106.9743	0.215	27	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|H<1>,2|N<3>}	106.9857	0.231	4	106.9857	0.054	4	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	109.8638	0.430	4	109.3295	0.270	19	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	109.1871	0.453	15	109.3295	0.270	19	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	107.5170	0.000	1	107.5170	0.000	1	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|H<1>,2|S<2>}	107.7927	0.234	4	107.7927	0.055	4	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	106.1430	0.000	1	106.1430	0.000	1	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.1266	0.321	5	106.2522	0.177	6	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.8800	0.000	1	106.2522	0.177	6	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	106.3035	0.448	6	106.4472	0.223	8	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Cl<1>,1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	106.8785	0.248	2	106.4472	0.223	8	107.2568	1.530	116	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]S)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(O){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]S)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	105.9640	0.000	1	105.9640	0.000	1	105.9640	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(F)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(N[5a]C[5a]H){1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(F){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|F<1>,3|C<3>}	105.7153	0.128	3	105.7153	0.016	3	105.7153	0.016	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	106.7763	0.335	3	106.7763	0.112	3	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	107.2465	0.523	2	107.2465	0.273	2	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	106.0580	0.000	1	106.0580	0.000	1	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	107.3835	0.105	2	108.3590	2.708	6	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	108.8468	1.886	4	108.3590	2.708	6	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,5|C<3>}	107.6415	0.431	2	107.6415	0.185	2	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	106.6925	0.155	2	106.6123	0.086	4	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	106.5320	0.455	2	106.6123	0.086	4	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	106.9080	0.000	1	106.9080	0.000	1	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	105.8700	0.000	1	106.5883	0.790	4	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	105.7690	0.000	1	106.5883	0.790	4	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.3570	0.013	2	106.5883	0.790	4	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	106.4650	0.000	1	106.5290	0.008	2	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	106.5930	0.000	1	106.5290	0.008	2	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	106.5697	0.239	3	106.5697	0.057	3	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.7815	0.350	2	107.4263	1.176	38	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	105.4640	0.631	2	107.4263	1.176	38	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>,3|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.3960	0.311	3	107.4263	1.176	38	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.4708	0.330	5	107.4263	1.176	38	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.9220	0.000	1	107.4263	1.176	38	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.4024	1.306	11	107.4263	1.176	38	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.2013	0.405	14	107.4263	1.176	38	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H){1|N<2>,2|H<1>,3|C<3>}	107.1430	0.000	1	107.1430	0.000	1	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	107.4120	0.000	1	107.3045	0.137	23	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	107.2996	0.378	22	107.3045	0.137	23	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<3>,1|N<2>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.8790	0.000	1	107.1984	0.539	10	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	108.0970	1.478	2	107.1984	0.539	10	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	107.0410	0.373	5	107.1984	0.539	10	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.8530	0.163	2	107.1984	0.539	10	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|B<3>,2|H<1>,3|C<3>}	105.8115	0.571	2	106.6386	0.304	9	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	106.8749	0.241	7	106.6386	0.304	9	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N[6])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N[6])(H){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	108.4150	0.250	2	108.4150	0.063	2	107.2495	0.854	111	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(I){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|I<1>,1|O<2>,4|C<3>}	105.3307	0.366	4	105.3307	0.134	4	105.3307	0.134	4	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	106.0850	0.163	6	106.0850	0.027	6	106.0850	0.027	6	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[5]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[5]H){2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.3090	0.000	1	108.3090	0.000	1	107.4870	0.576	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[6a]C[5])	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[6a]C[5]){2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.0760	0.373	2	107.0760	0.139	2	107.4870	0.576	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(CC[6a]C[5])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(CC[6a]C[5]){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	109.7810	0.000	1	109.7810	0.000	1	109.6598	0.063	4	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(COO)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(COO){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	109.3190	0.000	1	109.3190	0.000	1	109.6598	0.063	4	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(COO)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(COO){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|C<3>,1|S<2>,2|H<1>}	109.7695	0.186	2	109.7695	0.035	2	109.6598	0.063	4	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CHO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CHO){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|N<3>,2|C<4>,2|H<1>}	107.3610	0.000	1	107.3610	0.000	1	108.4380	1.078	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(COO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(COO){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.5200	0.000	1	108.5200	0.000	1	108.4380	1.078	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(COO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(COO){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	109.4330	0.000	1	109.4330	0.000	1	108.4380	1.078	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.0407	0.593	3	108.0407	0.352	3	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.4400	0.000	1	108.4400	0.000	1	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.7580	0.000	1	108.7580	0.000	1	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5]N){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	108.9360	0.000	1	108.9360	0.000	1	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]C[6a]){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	108.2100	0.000	1	108.2100	0.000	1	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	109.2710	0.000	1	109.2710	0.000	1	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.9660	0.000	1	108.9660	0.000	1	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C[5]){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.3242	0.343	5	108.3242	0.118	5	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.6650	0.000	1	108.6650	0.000	1	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.6988	0.880	4	108.6988	0.774	4	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	109.4266	0.564	9	109.3750	0.276	16	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	109.3087	0.506	7	109.3750	0.276	16	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CN[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CN[5a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	109.0423	0.123	3	109.0423	0.015	3	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	109.4134	0.618	14	109.4134	0.382	14	109.0519	0.465	52	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	106.1170	0.000	1	106.1170	0.000	1	106.4256	0.399	9	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[6a]O){2|Cl<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br){1|Cl<1>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){1|Br<1>,1|Cl<1>}	106.4820	0.000	1	106.4820	0.000	1	106.4256	0.399	9	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CNO){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){2|Br<1>}	106.5802	0.663	5	106.5802	0.440	5	106.4256	0.399	9	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(COO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	106.1650	1.039	2	106.1650	1.080	2	106.4256	0.399	9	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CCH){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|Cl<1>,1|C<3>,1|N<2>,1|O<2>}	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]F)(C[5a]N[5a]C)(F)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|F<1>}	C[5a](C[5a]C[5a]F)(C[5a]N[5a]C)(F){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|F<1>}	105.6180	0.501	2	105.6180	0.251	2	105.6180	0.251	2	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CB[5]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CB[5]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5690	0.000	1	106.5690	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.5500	0.008	2	106.2070	1.197	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.5355	0.437	4	106.2070	1.197	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	106.7650	0.000	1	106.7650	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.5140	0.519	3	106.5140	0.269	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5175	0.353	2	105.5613	0.352	10	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.3222	0.330	8	105.5613	0.352	10	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCH){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Cl<1>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){2|H<1>}	107.1940	0.000	1	107.1940	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.7407	0.409	12	106.7407	0.167	12	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|Br<1>,1|H<1>}	107.2340	0.000	1	107.2340	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>}	107.5190	0.000	1	107.5190	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.7852	0.348	13	106.7852	0.121	13	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.6813	0.365	3	106.6813	0.134	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.2200	0.000	1	106.2200	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	108.5573	0.941	3	107.8670	2.496	4	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.7960	0.000	1	107.8670	2.496	4	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	106.5860	0.000	1	106.5860	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]Br){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.4765	0.059	2	106.4765	0.003	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	106.6280	0.000	1	106.6280	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.6480	0.000	1	107.6480	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.2805	0.968	19	107.2805	0.936	19	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]C[6]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.8911	1.281	8	107.8911	1.642	8	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	106.5555	0.351	4	106.5555	0.123	4	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	105.6645	0.477	2	105.6645	0.228	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.0005	0.281	2	106.0005	0.079	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.4792	0.194	6	106.4792	0.038	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.1288	0.807	31	107.1288	0.651	31	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	108.3910	0.000	1	108.3910	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.2350	0.000	1	106.2350	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5480	0.014	2	106.5480	0.000	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]C[5]){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	106.1050	0.187	2	106.1050	0.035	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	106.3140	0.000	1	106.3140	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.9090	0.163	2	105.9090	0.026	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.0823	0.352	4	107.0823	0.124	4	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.6000	0.000	1	106.6000	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]S)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	105.9836	1.134	5	105.9836	1.285	5	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.1470	0.033	4	106.1470	0.001	4	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	104.9030	0.897	7	104.9030	0.804	7	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5027	0.843	3	106.5027	0.711	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	106.9765	0.209	2	106.9765	0.044	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	106.2567	2.128	3	106.2567	4.530	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	107.0735	0.687	2	107.0735	0.471	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.1645	0.054	2	107.1645	0.003	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	108.8180	0.000	1	108.8180	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	108.9200	0.000	1	108.9200	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.2337	0.637	13	106.3816	0.681	14	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.3050	0.000	1	106.3816	0.681	14	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){2|H<1>}	105.4510	0.000	1	105.4510	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.7707	0.529	20	106.7707	0.279	20	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	106.8004	0.487	9	106.8004	0.238	9	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.8997	1.095	392	106.8961	1.181	399	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.6946	0.359	7	106.8961	1.181	399	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.1756	0.280	5	106.7273	0.435	9	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	105.3990	0.000	1	106.7273	0.435	9	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	106.5240	0.235	2	106.7273	0.435	9	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	106.2210	0.000	1	106.7273	0.435	9	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.7556	0.765	5	106.7275	0.473	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	106.5870	0.000	1	106.7275	0.473	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.7555	0.942	16	106.7555	0.888	16	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	105.9990	0.488	2	105.9990	0.238	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.9944	0.230	5	105.9944	0.053	5	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	106.2820	0.000	1	106.2820	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	106.5600	0.228	2	106.5600	0.052	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){2|C<3>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	108.4680	1.512	2	108.4680	2.286	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.8630	0.361	3	106.8630	0.130	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.8500	0.393	2	106.8500	0.155	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.6705	0.533	4	107.6705	0.284	4	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.0250	0.000	1	107.0250	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.8560	0.132	2	106.8560	0.017	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.2834	0.533	55	107.2834	0.284	55	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.6768	0.489	9	107.0771	0.389	38	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.8910	0.542	29	107.0771	0.389	38	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){2|H<1>,3|C<3>}	106.9357	0.330	4	106.9357	0.109	4	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.8306	0.794	5	107.4270	0.360	14	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.2028	0.334	9	107.4270	0.360	14	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	106.9250	0.000	1	107.3687	0.152	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	107.5905	0.095	2	107.3687	0.152	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	107.8930	0.116	2	107.8930	0.013	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.9565	0.500	2	106.9565	0.250	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	108.0530	0.000	1	107.1531	0.122	32	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.1241	0.313	31	107.1531	0.122	32	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	106.2180	0.000	1	106.2180	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.5217	0.131	6	107.5217	0.017	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHO){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|I<1>}	108.0050	0.000	1	108.0050	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNO){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|Br<1>,1|H<1>}	108.1193	0.368	7	108.1193	0.135	7	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNO){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	107.4143	0.265	3	107.4143	0.070	3	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.1982	0.454	11	107.1982	0.206	11	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNS)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CNS){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.5750	0.000	1	106.5750	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]2){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.5835	0.139	2	105.5835	0.019	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.9635	0.346	2	107.9635	0.120	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[6]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[6]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.4770	0.000	1	106.4770	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	107.5850	0.025	2	107.5850	0.001	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H){1|C<3>,1|H<1>}	107.6720	0.000	1	107.6720	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	108.4400	0.000	1	108.4400	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.5175	0.197	2	107.5175	0.039	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	108.0780	0.000	1	108.0780	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]F)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<4>,1|F<1>}	C[5a](C[5a]C[5a]F)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|F<1>,1|H<1>}	108.5720	0.259	2	108.5720	0.067	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.4406	0.423	14	107.4406	0.179	14	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	108.2193	0.440	3	107.4758	0.978	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.7323	0.770	3	107.4758	0.978	6	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	108.6970	0.000	1	108.6970	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|N<3>}	108.6210	0.000	1	108.3525	0.144	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|N<3>}	108.0840	0.000	1	108.3525	0.144	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<4>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|O<2>}	108.5205	0.091	2	108.5205	0.008	2	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(COO){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	107.8010	0.000	1	107.8010	0.000	1	106.9486	0.935	896	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CHH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CHH){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)2(H){2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H){1|C<4>,1|S<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(O){1|H<1>,1|S<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(H){1|C<4>,1|O<1>}	104.4637	0.315	3	104.4637	0.099	3	105.0097	1.259	4	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CNO){2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>,1|O<1>}	106.6480	0.000	1	106.6480	0.000	1	105.0097	1.259	4	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CCH)	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CCH){1|Se<1>,1|C<4>}	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]C)(O){1|Se<1>,2|C<4>,2|H<1>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]C)(H){1|C<4>,1|O<1>}	105.4860	0.000	1	105.4860	0.000	1	105.4860	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[4]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[4]C[4]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[4]C[4]2){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(H){1|C<4>,2|H<1>,3|C<3>}	108.4220	0.000	1	108.4220	0.000	1	108.4220	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	109.3860	0.000	1	109.3860	0.000	1	109.7273	0.095	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	109.8980	0.126	2	109.8980	0.016	2	109.7273	0.095	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[5])2(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.1125	0.042	2	107.1125	0.002	2	107.2210	0.036	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	107.4380	0.000	1	107.4380	0.000	1	107.2210	0.036	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	108.7950	0.062	2	108.7950	0.004	2	109.4083	0.299	6	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	109.6480	0.585	2	109.7150	0.122	4	109.4083	0.299	6	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5a]N[5a]2){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|C<3>,2|H<1>,2|N<2>}	109.7820	0.064	2	109.7150	0.122	4	109.4083	0.299	6	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]){1|B<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	109.0315	0.067	2	109.0315	0.005	2	109.0315	0.005	2	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C[6])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	106.5840	0.000	1	106.5840	0.000	1	107.0886	1.061	8	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.7090	0.454	2	108.7090	0.206	2	107.0886	1.061	8	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	106.1710	0.000	1	106.5414	0.054	5	107.0886	1.061	8	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.6340	0.121	4	106.5414	0.054	5	107.0886	1.061	8	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	108.2685	0.131	2	108.2685	0.017	2	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.6670	0.000	1	108.4245	0.101	4	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	108.3437	0.336	3	108.4245	0.101	4	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	108.3995	0.810	2	107.7424	1.969	9	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	107.4030	0.000	1	107.7424	1.969	9	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	108.1590	0.740	2	107.7424	1.969	9	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	107.2905	2.034	4	107.7424	1.969	9	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,4|C<3>}	108.8770	0.246	3	108.8770	0.060	3	108.1416	1.153	18	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NOO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NOO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H){1|H<1>,1|N<3>}	110.8730	0.000	1	110.8730	0.000	1	110.8730	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.2250	0.000	1	108.7595	0.571	2	108.7595	0.571	2	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	109.2940	0.000	1	108.7595	0.571	2	108.7595	0.571	2	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(I){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|H<1>,1|I<1>,4|C<3>}	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|F<1>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|F<1>}	106.0191	0.330	7	106.0191	0.109	7	105.9876	0.089	10	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|F<1>,3|C<3>}	105.9140	0.245	3	105.9140	0.060	3	105.9876	0.089	10	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.4010	0.000	1	106.4010	0.000	1	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.2257	0.550	3	106.2257	0.303	3	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])2(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	107.4920	0.137	2	107.4920	0.019	2	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	106.5010	0.000	1	106.5010	0.000	1	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	106.7546	0.371	11	106.7546	0.138	11	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	106.0858	0.454	4	106.9062	0.370	16	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	107.1797	0.350	12	106.9062	0.370	16	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	106.4332	0.318	6	106.9244	0.325	23	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	107.0978	0.541	17	106.9244	0.325	23	106.8531	0.309	57	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	109.1615	0.049	2	109.1615	0.002	2	109.1670	0.001	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	109.1780	0.000	1	109.1780	0.000	1	109.1670	0.001	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|B<3>,2|H<1>,3|C<3>}	105.9705	0.098	2	105.9705	0.010	2	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	106.3350	0.000	1	106.3350	0.000	1	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.2935	0.054	4	106.2935	0.003	4	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.9418	0.996	5	107.9418	0.992	5	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	106.5690	0.000	1	106.5690	0.000	1	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	106.7044	0.507	8	106.9669	0.338	17	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	107.2002	0.567	9	106.9669	0.338	17	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	106.2793	0.133	3	106.9748	0.242	13	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	107.3792	0.161	4	106.9748	0.242	13	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	107.0530	0.359	6	106.9748	0.242	13	106.9497	0.509	43	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	111.9250	0.000	1	111.3667	0.835	3	111.3667	0.835	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	111.0875	1.097	2	111.3667	0.835	3	111.3667	0.835	3	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	107.0551	1.390	1587	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]O){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH){1|C<4>,1|H<1>,2|C<3>}	104.6930	0.000	1	104.6930	0.000	1	104.6930	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(NC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C)2(NC){2|H<1>}	106.2175	0.439	2	106.2175	0.193	2	106.2175	0.193	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){5|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.3640	0.000	1	105.3640	0.000	1	105.7955	0.372	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	106.2270	0.000	1	106.2270	0.000	1	105.7955	0.372	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|H<1>,2|C<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<2>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	107.5820	0.533	2	107.5820	0.284	2	107.5820	0.284	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:B[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(B[5]O[5]2)	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(B[5]O[5]2){2|C<3>,3|C<4>}	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(H){1|C<3>,2|O<2>}	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	105.4040	0.000	1	105.4040	0.000	1	105.4040	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCH){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.2270	0.000	1	106.2270	0.000	1	106.5443	0.115	3	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN[6]O)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN[6]O){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.5050	0.000	1	106.5050	0.000	1	106.5443	0.115	3	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){3|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.9010	0.000	1	106.9010	0.000	1	106.5443	0.115	3	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CNO)	C[5a](C[5a]N[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CNO){1|Br<1>,1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]Br)(C[5a]N[5a]C)(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	106.9055	0.515	2	106.9055	0.266	2	106.3407	0.551	4	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|Br<1>,1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]Br)(C[5a]N[5a]C)(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	105.5390	0.000	1	105.5390	0.000	1	106.3407	0.551	4	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	106.0130	0.000	1	106.0130	0.000	1	106.3407	0.551	4	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.5240	0.000	1	106.1738	0.254	5	106.1738	0.254	5	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	106.3363	0.404	4	106.1738	0.254	5	106.1738	0.254	5	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(Br){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|H<1>,4|C<3>}	105.4810	0.000	1	105.4810	0.000	1	105.4810	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<1>,3|H<1>,4|C<3>}	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	105.0830	0.000	1	105.0830	0.000	1	105.3440	0.136	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	105.6050	0.000	1	105.6050	0.000	1	105.3440	0.136	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	106.0880	0.000	1	106.1397	0.047	4	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	106.1570	0.263	3	106.1397	0.047	4	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	106.4310	0.000	1	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	106.0610	0.000	1	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	106.4140	0.000	1	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	105.7782	0.369	28	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	105.5080	0.016	2	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	105.7670	0.000	1	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	106.2310	0.000	1	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.6451	0.225	7	105.7911	0.131	42	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	105.9913	0.237	4	105.9913	0.056	4	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	106.9070	1.391	4	106.9070	1.935	4	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	106.0150	0.000	1	105.8714	0.239	21	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	106.4757	0.158	3	105.8714	0.239	21	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	105.6280	0.000	1	105.8714	0.239	21	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.7643	0.473	16	105.8714	0.239	21	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	105.3347	0.313	3	105.3347	0.098	3	105.8805	0.288	78	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	106.0550	0.000	1	106.0550	0.000	1	105.6795	0.282	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){5|C<3>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	105.3040	0.000	1	105.3040	0.000	1	105.6795	0.282	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NAlC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NAlC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.1030	0.078	2	106.1030	0.006	2	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	107.1790	0.245	6	107.1790	0.060	6	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	107.8930	0.122	2	107.0158	0.211	24	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	106.9404	0.489	10	107.0158	0.211	24	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.9077	0.327	10	107.0158	0.211	24	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	107.0555	0.088	2	107.0158	0.211	24	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6]H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.5680	0.000	1	107.5680	0.000	1	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	106.4810	0.000	1	106.3840	0.019	2	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.2870	0.000	1	106.3840	0.019	2	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	106.6800	0.000	1	106.4813	0.108	7	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	105.8370	0.000	1	106.4813	0.108	7	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	106.5704	0.197	5	106.4813	0.108	7	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	106.7960	0.000	1	106.7960	0.000	1	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHS)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHS){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	106.9665	0.310	2	106.9665	0.096	2	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NSS)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NSS){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	106.9410	0.000	1	106.9410	0.000	1	106.8920	0.227	46	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	106.0970	0.000	1	106.0970	0.000	1	106.0970	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NHH){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|I<1>,2|C<3>}	104.7340	0.000	1	104.7340	0.000	1	104.7340	0.000	1	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<2>,2|O<1>,4|C<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	107.5600	0.000	1	107.2715	0.166	2	107.2715	0.166	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	106.9830	0.000	1	107.2715	0.166	2	107.2715	0.166	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	105.8485	0.039	2	105.8485	0.002	2	105.8485	0.002	2	106.2313	0.522	158	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|S<2>,5|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	107.2890	0.000	1	107.2890	0.000	1	107.2890	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC){1|C<3>,1|N<3>,2|H<1>}	106.6320	0.367	8	106.6320	0.134	8	106.9628	0.271	26	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)2(NCC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]2)2(NCC){2|C<3>,2|H<1>,2|N<3>}	107.1099	0.518	18	107.1099	0.269	18	106.9628	0.271	26	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])2(CCO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(CCO){1|H<1>,5|C<3>}	106.9360	0.000	1	106.9360	0.000	1	107.0038	0.177	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCO){2|C<3>,2|H<1>}	107.4010	0.000	1	107.4010	0.000	1	107.0038	0.177	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	107.1835	0.081	2	107.1835	0.007	2	107.0038	0.177	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|I<1>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|I<1>,2|C<3>}	106.3150	0.000	1	106.3150	0.000	1	107.0038	0.177	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]N){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	105.5720	0.000	1	105.5720	0.000	1	105.5720	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:B-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(BOO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]B)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(BOO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]B)(C[5a]C[5a]H)(COO){2|H<1>}	104.7625	0.551	2	104.7625	0.303	2	104.7625	0.303	2	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(COO)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(COO){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(COO){1|H<1>,1|S<2>,2|C<3>}	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CNO){2|C<3>,2|H<1>}	107.9510	0.000	1	107.9510	0.000	1	108.8173	1.157	3	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN[5]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN[5]O){2|C<3>,2|H<1>}	108.4800	0.000	1	108.4800	0.000	1	108.8173	1.157	3	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<3>,1|N<2>,2|H<1>}	110.0210	0.000	1	110.0210	0.000	1	108.8173	1.157	3	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(COO){2|Cl<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(CCH){1|Br<1>,1|Cl<1>}	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(CC[6a]O)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(CC[6a]O){2|Cl<1>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,2|Cl<1>,1|N<3>,2|C<3>}	106.2765	0.525	2	106.2765	0.276	2	106.6063	0.464	3	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(COO)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(COO){2|Cl<1>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(Br){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]2)(C[5a]C[5a]C){1|Br<1>,1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	107.2660	0.000	1	107.2660	0.000	1	106.6063	0.464	3	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	106.5190	0.000	1	106.5190	0.000	1	107.1827	0.244	7	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCO){2|C<3>,2|H<1>}	107.2510	0.000	1	107.2510	0.000	1	107.1827	0.244	7	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	106.9590	0.000	1	106.9590	0.000	1	107.1827	0.244	7	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	107.7385	0.541	2	107.7385	0.293	2	107.1827	0.244	7	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|Ni<4>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|Ni<4>,1|C<3>}	N[5a](C[5a]C[5a]Ni)(C[5a]C[5a]C)(CC[5a]H){1|C<3>,1|H<1>}	107.0365	0.121	2	107.0365	0.015	2	107.1827	0.244	7	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(COO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(COO){2|Br<1>,2|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)(C[5a]C[5a]C){2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	107.4970	0.000	1	107.4970	0.000	1	108.3307	0.527	3	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)2{1|N<3>,2|C<3>,3|H<1>}	108.7475	0.110	2	108.7475	0.012	2	108.3307	0.527	3	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(NCH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)2(NCH){2|H<1>}	105.4920	1.257	2	105.4920	1.581	2	105.4920	1.581	2	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)2(C[6]C[6]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]2)2(C[6]C[6]2){1|C<2>,2|S<2>,3|C<3>,4|H<1>}	107.5260	0.096	2	107.5260	0.009	2	107.5260	0.009	2	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	107.1777	0.291	6	107.1777	0.085	6	107.1777	0.085	6	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])(COO){1|H<1>,4|C<3>}	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO){1|H<1>,5|C<3>}	107.6420	0.000	1	107.6420	0.000	1	108.1570	0.154	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){2|H<1>,4|C<3>}	108.0240	0.000	1	108.0240	0.000	1	108.1570	0.154	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	108.2145	0.207	2	108.2145	0.043	2	108.1570	0.154	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N){2|H<1>,4|C<3>}	108.6900	0.000	1	108.6900	0.000	1	108.1570	0.154	5	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){2|H<1>,4|C<3>}	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|P<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a]){2|H<1>,4|C<3>}	108.8310	0.072	4	108.8310	0.005	4	108.8310	0.005	4	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NSS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NSS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO){1|Br<1>,1|H<1>,2|C<3>}	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Ga-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(GaCl2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ga<3>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(GaCl2){2|C<3>,2|H<1>,2|N<2>}	108.1255	0.343	2	108.1255	0.118	2	108.0890	0.051	4	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Ga-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(GaClIr)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Ga<3>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(GaClIr){2|C<3>,2|H<1>,2|N<2>}	108.0525	0.169	2	108.0525	0.029	2	108.0890	0.051	4	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(COO){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	108.3130	0.325	3	108.3130	0.105	3	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCH){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	108.4740	0.477	2	108.4740	0.227	2	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCN){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	109.1320	0.000	1	109.1320	0.000	1	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]H){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|Cl<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	108.8350	0.000	1	108.8350	0.000	1	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	108.4385	0.045	2	108.4385	0.002	2	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	109.0390	0.000	1	109.0390	0.000	1	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	109.7130	0.000	1	109.7130	0.000	1	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(COO){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	109.6355	0.060	2	109.6355	0.004	2	108.8272	0.335	13	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	107.1605	0.152	2	107.1605	0.023	2	106.9980	0.083	4	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	106.5900	0.000	1	106.5900	0.000	1	106.9980	0.083	4	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CN[5]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CN[5]O){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	107.0810	0.000	1	107.0810	0.000	1	106.9980	0.083	4	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHO){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,2|H<1>,3|C<3>}	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(CCO)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(CCO){1|Cu<2>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(O){1|Cu<2>,3|C<3>}	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|C<3>}	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a,6a]H){1|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|S<2>,2|H<1>,5|C<3>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2){2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	110.1975	0.123	4	110.1975	0.015	4	110.1975	0.015	4	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	109.1160	0.000	1	109.1160	0.000	1	109.4925	0.133	26	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	109.6572	0.393	13	109.5076	0.132	25	109.4925	0.133	26	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	109.3455	0.255	12	109.5076	0.132	25	109.4925	0.133	26	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	106.9300	0.000	1	107.3626	0.166	14	107.3626	0.166	14	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	107.3155	0.330	2	107.3626	0.166	14	107.3626	0.166	14	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	107.5014	0.338	7	107.3626	0.166	14	107.3626	0.166	14	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	106.6740	0.000	1	107.3626	0.166	14	107.3626	0.166	14	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	107.1410	0.003	2	107.3626	0.166	14	107.3626	0.166	14	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	108.0490	0.000	1	107.3626	0.166	14	107.3626	0.166	14	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,7|C<3>}	108.3890	0.000	1	108.3890	0.000	1	108.3890	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	108.4613	0.193	3	108.5330	0.045	4	108.8696	0.183	10	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.7480	0.000	1	108.5330	0.045	4	108.8696	0.183	10	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	108.7005	0.405	2	108.7005	0.164	2	108.8696	0.183	10	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	109.3355	0.127	2	109.3355	0.016	2	108.8696	0.183	10	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	109.2460	0.320	2	109.2460	0.102	2	108.8696	0.183	10	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	108.7230	0.148	2	108.7230	0.022	2	108.7230	0.022	2	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.0695	0.400	2	107.0695	0.160	2	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	106.6810	0.762	2	106.6810	0.581	2	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	106.7080	0.000	1	107.1432	0.250	12	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	106.9257	0.240	6	107.1432	0.250	12	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	106.9245	0.530	2	107.1432	0.250	12	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	107.9365	0.015	2	107.1432	0.250	12	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.7340	0.000	1	107.1432	0.250	12	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	106.7893	0.534	3	106.7893	0.285	3	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	106.3390	0.000	1	106.3390	0.000	1	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	107.3790	0.165	2	107.4307	0.022	3	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	107.5340	0.000	1	107.4307	0.022	3	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	106.7420	0.000	1	106.7420	0.000	1	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	108.8250	0.000	1	108.8250	0.000	1	107.1114	0.366	25	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(I)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(I){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|I<1>,1|N<3>,2|H<1>,6|C<3>}	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|O<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	105.8650	0.000	1	105.8650	0.000	1	105.8650	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(NCH){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){2|H<1>,4|C<3>}	110.1810	0.437	2	110.1810	0.191	2	110.1810	0.191	2	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]I)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]I)(NOO){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(I){1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){1|H<1>,1|I<1>,4|C<3>}	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:P-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(PCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(PCO){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2){2|C<3>,4|H<1>}	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	109.7005	0.288	2	109.7005	0.083	2	109.7005	0.083	2	107.9352	1.574	193	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	106.1670	0.255	2	106.1670	0.065	2	106.7390	0.461	4	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	107.3110	0.091	2	107.3110	0.008	2	106.7390	0.461	4	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO)	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO){2|C<3>,2|H<1>}	107.7380	0.188	2	107.7380	0.035	2	107.7380	0.035	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){2|H<1>,4|C<3>}	108.1165	0.029	2	108.1165	0.001	2	108.1165	0.001	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)(Br)	N[5a](C[5a]C[5a]2)2(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]Br)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]Br)(Br){1|C<4>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]2)2(CCHH){2|Br<1>,2|C<3>,2|S<2>}	107.8855	0.487	2	107.8855	0.237	2	107.8855	0.237	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	107.5623	0.321	3	107.5623	0.103	3	107.4247	0.336	12	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,2|H<1>}	108.6480	0.000	1	108.6480	0.000	1	107.4247	0.336	12	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	107.3910	0.000	1	107.3910	0.000	1	107.4247	0.336	12	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	106.8040	0.000	1	106.8040	0.000	1	107.4247	0.336	12	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)2(CCHH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]2)2(CCHH){2|C<3>,2|H<1>,2|S<2>}	107.2610	0.527	6	107.2610	0.278	6	107.4247	0.336	12	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	107.2890	0.000	1	107.2890	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	107.9440	0.000	1	107.9440	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	107.7930	0.000	1	107.7930	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]F)(H){1|C<2>,1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3){1|F<1>,1|H<1>,2|C<3>}	109.5600	0.000	1	109.5600	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	107.1480	0.000	1	107.1480	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3){1|O<2>,2|H<1>,3|C<3>}	108.3943	0.116	3	108.3943	0.014	3	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH){2|C<3>,2|H<1>}	108.1210	0.000	1	108.1210	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3){2|C<3>,2|H<1>}	107.6090	0.000	1	107.6090	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|N<2>}	107.4290	0.000	1	107.4290	0.000	1	108.0069	0.470	11	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.1905	0.093	2	106.1905	0.009	2	106.7287	0.873	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(H){1|S<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	107.8050	0.000	1	107.8050	0.000	1	106.7287	0.873	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3){1|C<4>,1|H<1>,2|C<3>}	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:B[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(B[5]O[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(B[5]O[5]2){1|C<3>,1|N<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B[5])(H){1|C<3>,1|C<4>,2|N<2>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]B[5])(CC[6a]HH){1|H<1>,2|C<3>,2|O<2>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCO){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	108.2560	0.000	1	108.2560	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	108.1490	0.000	1	108.1490	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	108.4750	0.000	1	108.4750	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	109.2600	0.000	1	109.2600	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	109.2170	0.083	2	109.2170	0.007	2	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	109.4600	0.000	1	109.4600	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	109.2830	0.185	2	109.2830	0.034	2	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHN){1|C<3>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.1990	0.000	1	108.1990	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHO){1|C<3>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.9210	0.000	1	108.9210	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	109.2000	0.000	1	109.2000	0.000	1	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<2>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	109.9720	0.332	3	109.8906	0.074	5	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	109.7685	0.165	2	109.8906	0.074	5	109.1984	0.401	17	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[5a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.9505	0.500	2	108.9505	0.250	2	108.8536	0.160	5	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.5480	0.106	2	108.5480	0.011	2	108.8536	0.160	5	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	109.2710	0.000	1	109.2710	0.000	1	108.8536	0.160	5	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	106.5900	0.000	1	106.5900	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	106.7260	0.299	5	106.7260	0.090	5	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	107.0079	0.229	8	107.0079	0.053	8	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	107.8560	0.000	1	107.8560	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	106.6870	0.000	1	106.6870	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	106.3990	0.000	1	106.3990	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	106.7065	0.275	2	106.7065	0.076	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6]N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6]N){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	108.0655	0.050	2	108.0655	0.003	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	106.9760	0.000	1	106.9760	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|H<1>}	107.7880	0.000	1	107.7880	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	106.6140	0.027	2	106.6140	0.001	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>}	106.7950	0.000	1	106.7950	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	105.2500	0.000	1	105.2500	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>}	105.9490	0.000	1	105.9490	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	107.9124	0.297	9	107.9124	0.088	9	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	107.3515	0.132	2	107.3515	0.017	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	106.4220	0.000	1	106.4220	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	107.3279	0.226	8	107.3279	0.051	8	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	107.3620	0.000	1	107.3620	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|H<1>}	107.3360	0.000	1	107.3360	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	108.5305	0.433	2	108.5305	0.188	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	107.3280	0.000	1	107.3280	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CH3){1|Br<1>,1|H<1>}	108.3145	0.190	2	108.3145	0.036	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(CHHO){1|Br<1>,1|H<1>}	108.5060	0.000	1	108.5060	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>}	107.8980	0.000	1	107.8980	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	107.2300	0.000	1	107.2300	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	107.4280	0.284	3	107.4280	0.080	3	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	107.6099	0.250	7	107.6099	0.063	7	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	108.0570	0.730	2	108.0570	0.533	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CNO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	107.9103	0.460	11	107.9103	0.212	11	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	106.5377	0.570	3	106.5377	0.325	3	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[6]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN[6]O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	107.7750	0.000	1	107.7750	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	107.3640	0.938	2	107.3640	0.879	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH){1|C<3>,1|H<1>}	107.5325	0.025	2	107.5325	0.001	2	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	107.3200	0.000	1	107.3200	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH){2|H<1>}	107.9580	0.000	1	107.9580	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	107.0793	0.262	4	107.0793	0.068	4	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	108.5060	0.000	1	108.5060	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	108.1342	0.217	5	108.1342	0.047	5	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,2|H<1>}	106.9170	0.000	1	106.9170	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(COW){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	104.7350	0.000	1	104.7350	0.000	1	107.4112	0.501	103	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Rh){2|H<1>}	107.5040	0.034	2	107.5040	0.001	2	107.5257	0.783	13	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Rh){2|H<1>}	107.9266	0.709	7	107.9266	0.502	7	107.5257	0.783	13	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]Ru)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]Ru){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC){2|H<1>}	105.9335	0.153	2	105.9335	0.024	2	107.5257	0.783	13	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Pd){2|H<1>}	107.5400	0.000	1	107.5400	0.000	1	107.5257	0.783	13	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PPdNN)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PPdNN){2|H<1>}	107.9330	0.000	1	107.9330	0.000	1	107.5257	0.783	13	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCH)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCH){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	107.6450	0.000	1	107.6450	0.000	1	107.3163	0.084	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	107.2050	0.000	1	107.2050	0.000	1	107.3163	0.084	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHO){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	107.0990	0.000	1	107.0990	0.000	1	107.3163	0.084	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CHH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]U)(BN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CHH){1|C<4>,1|U<8>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>,1|U<8>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]U)(BN[5]2H){1|C<4>,1|H<1>}	106.5820	0.000	1	106.5820	0.000	1	106.5820	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2){1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|P<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	109.2557	0.222	3	109.2557	0.049	3	109.2557	0.049	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	107.3080	0.000	1	107.3080	0.000	1	107.8525	0.593	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH){2|H<1>,2|N<3>}	108.3970	0.000	1	108.3970	0.000	1	107.8525	0.593	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]C[5a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]C[5a]2){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,3|C<3>}	109.5160	0.000	1	109.5160	0.000	1	109.5630	0.004	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5a]N[5a]2){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	109.6100	0.000	1	109.6100	0.000	1	109.5630	0.004	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H)	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3)	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3){1|H<1>,4|C<3>}	107.8880	0.000	1	107.8880	0.000	1	107.8880	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|H<1>,2|C<3>,4|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	106.1620	0.000	1	106.1620	0.000	1	106.1620	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(SC[6a]OO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){2|H<1>,4|C<3>}	109.4060	0.000	1	109.4060	0.000	1	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	109.3647	0.610	3	109.3647	0.372	3	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|P<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	109.4640	0.000	1	108.9999	0.391	7	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	108.5310	0.340	3	108.9999	0.391	7	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	110.0910	0.000	1	108.9999	0.391	7	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	108.9255	0.193	2	108.9999	0.391	7	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	108.7650	0.000	1	108.7650	0.000	1	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	109.7960	0.462	2	109.7960	0.214	2	109.2040	0.354	14	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO){2|H<1>,4|C<3>}	106.2330	2.080	2	107.2257	5.120	3	107.4532	3.621	4	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO){2|H<1>,4|C<3>}	109.2110	0.000	1	107.2257	5.120	3	107.4532	3.621	4	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	108.1360	0.000	1	108.1360	0.000	1	107.4532	3.621	4	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Br){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	109.1765	0.732	2	109.1765	0.536	2	109.1765	0.536	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(Cl){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|Cl<1>,2|C<3>}	109.6240	0.000	1	109.6240	0.000	1	109.6240	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	110.9495	0.078	2	110.9495	0.006	2	110.8840	0.015	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	110.8470	0.167	3	110.8512	0.019	4	110.8840	0.015	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)(CC[6a]HH){1|H<1>,2|C<3>}	110.8640	0.000	1	110.8512	0.019	4	110.8840	0.015	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCH){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	109.0320	0.199	2	109.0320	0.040	2	108.6910	0.106	8	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	108.5780	0.220	4	108.5780	0.048	4	108.6910	0.106	8	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6]S)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6]S){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	108.2270	0.000	1	108.2270	0.000	1	108.6910	0.106	8	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6a]S)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6a]S){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH){2|C<3>,2|H<1>}	108.9250	0.000	1	108.9250	0.000	1	108.6910	0.106	8	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N[5])(CC[6a]HH){1|H<1>,4|C<3>}	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:S-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(SCrC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(SCrC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr){2|H<1>}	108.8965	0.185	2	108.8965	0.034	2	108.8965	0.034	2	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	107.9690	0.000	1	107.9690	0.000	1	107.6517	0.142	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|Cu<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	108.2040	0.000	1	108.2040	0.000	1	107.6517	0.142	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|O<2>,2|H<1>}	107.3310	0.000	1	107.3310	0.000	1	107.6517	0.142	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3){1|O<2>,2|H<1>,3|C<3>}	107.4687	0.226	3	107.4687	0.051	3	107.6517	0.142	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	109.4560	0.000	1	109.4560	0.000	1	109.0260	0.276	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|N<2>,2|H<1>,3|C<3>}	108.8110	0.523	2	108.8110	0.274	2	109.0260	0.276	3	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	106.5095	0.606	4	106.5095	0.368	4	106.5095	0.368	4	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCH){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H){1|S<4>,4|H<1>,6|C<3>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Si<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	110.1345	0.531	2	110.1345	0.282	2	110.3662	0.134	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Si<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC){2|H<1>,4|C<3>}	110.4820	0.275	4	110.4820	0.076	4	110.3662	0.134	6	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<2>,2|H<1>,3|C<3>}	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	108.0213	1.434	257	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.3505	0.213	2	105.3505	0.045	2	105.3720	0.120	4	105.3720	0.120	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.3935	0.559	2	105.3935	0.313	2	105.3720	0.120	4	105.3720	0.120	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH){2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.1760	0.000	1	107.2300	0.006	2	107.2300	0.006	2	106.8517	0.432	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CCH){2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.2840	0.000	1	107.2300	0.006	2	107.2300	0.006	2	106.8517	0.432	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>,4|C<3>}	106.0950	0.000	1	106.0950	0.000	1	106.0950	0.000	1	106.8517	0.432	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(OC)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(OC){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|O<2>,3|C<3>}	104.2605	0.364	2	104.2605	0.133	2	104.5013	0.240	3	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(OH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(OH){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|O<2>,3|C<3>}	104.9830	0.000	1	104.9830	0.000	1	104.5013	0.240	3	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Se-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(SeC[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(SeC[6a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,3|C<3>}	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OC)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OC){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	105.2190	0.000	1	105.2190	0.000	1	105.1455	0.011	2	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(OH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	105.0720	0.000	1	105.0720	0.000	1	105.1455	0.011	2	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH)	C[5a](C[5a]N[5a]N)2(CN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH){1|N<3>}	C[5a](C[5a]N[5a]N)2(CN){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	106.4810	0.000	1	106.4810	0.000	1	106.4810	0.000	1	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(NHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(NHH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a]){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	107.0410	0.000	1	107.0410	0.000	1	107.0410	0.000	1	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Se-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SeC[5])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SeC[5]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	105.7840	0.000	1	105.7840	0.000	1	105.7840	0.000	1	105.4709	0.944	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<2>,1|H<1>}	105.5520	0.000	1	105.5520	0.000	1	105.6530	0.020	2	105.6530	0.020	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(CN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|S<2>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(CN){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<2>,1|S<2>}	105.7540	0.000	1	105.7540	0.000	1	105.6530	0.020	2	105.6530	0.020	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	104.4928	0.333	4	104.4928	0.111	4	104.4174	0.054	9	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	104.3195	0.104	4	104.3195	0.011	4	104.4174	0.054	9	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C){4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH){1|C<3>,1|N<2>,1|O<2>}	104.5080	0.000	1	104.5080	0.000	1	104.4174	0.054	9	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(CN[5]O)	C[5a](C[5a]N[5a]C)2(SS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(CN[5]O){1|C<4>}	C[5a](C[5a]N[5a]C)2(SS){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	106.5550	0.352	2	106.5550	0.124	2	106.5550	0.124	2	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	103.9480	0.000	1	103.9480	0.000	1	104.2683	0.050	7	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.2105	0.023	2	104.2105	0.001	2	104.2683	0.050	7	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.0850	0.000	1	104.0850	0.000	1	104.2683	0.050	7	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.5230	0.000	1	104.5230	0.000	1	104.2683	0.050	7	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.5580	0.000	1	104.5580	0.000	1	104.2683	0.050	7	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.3430	0.000	1	104.3430	0.000	1	104.2683	0.050	7	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NCC)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NCC){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<2>,1|H<1>}	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>}	106.3480	0.000	1	106.3480	0.000	1	106.3480	0.000	1	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS){2|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.2880	0.000	1	105.2880	0.000	1	105.2880	0.000	1	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NCH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NCH){2|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO){1|C<3>}	102.4700	0.000	1	102.4700	0.000	1	103.7195	3.123	2	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NHS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NHS){2|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO){1|C<3>}	104.9690	0.000	1	104.9690	0.000	1	103.7195	3.123	2	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	105.0770	0.000	1	105.3628	0.064	4	105.3628	0.064	4	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	105.4580	0.205	3	105.3628	0.064	4	105.3628	0.064	4	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(SS)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|C<2>}	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(SS){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|S<2>,2|C<4>}	107.6470	0.000	1	107.6470	0.000	1	107.6470	0.000	1	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2){2|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH){1|C<3>}	103.3570	0.000	1	103.3570	0.000	1	103.3570	0.000	1	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	104.2830	0.000	1	104.2830	0.000	1	103.9715	0.194	2	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	103.6600	0.000	1	103.6600	0.000	1	103.9715	0.194	2	104.7911	1.130	31	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){1|Cl<1>,1|O<2>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|Cl<1>,1|C<3>,1|N<2>,1|O<2>}	108.4710	0.000	1	108.4710	0.000	1	107.2935	2.773	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]O)(OC)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){2|O<2>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]O)(OC){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|O<2>}	106.1160	0.000	1	106.1160	0.000	1	107.2935	2.773	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.6540	0.000	1	107.8330	1.348	2	107.8330	1.348	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	107.0120	0.000	1	107.8330	1.348	2	107.8330	1.348	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(OCr)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(OCr){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	106.9785	0.053	2	106.9785	0.003	2	106.9785	0.003	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<2>,3|C<3>}	106.1126	0.486	5	106.1126	0.236	5	106.1126	0.236	5	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){3|C<3>}	105.7575	0.566	2	105.7575	0.321	2	105.8402	3.177	9	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	105.1584	0.283	5	105.1584	0.080	5	105.8402	3.177	9	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a]H){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(N[5a]C[5a]){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(H){2|O<2>,3|C<3>}	104.7950	0.000	1	104.7950	0.000	1	105.8402	3.177	9	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,3|N<2>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	110.4600	0.000	1	110.4600	0.000	1	105.8402	3.177	9	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(OC)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(N[5a]C[5a]H){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(OC){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|O<2>}	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N)(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	106.0275	0.067	2	106.0275	0.005	2	106.0275	0.005	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	107.4160	0.000	1	107.4160	0.000	1	107.4160	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	105.5805	0.284	2	105.5805	0.080	2	105.2537	0.383	60	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	105.2982	0.639	48	105.2982	0.408	48	105.2537	0.383	60	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	105.1418	0.656	5	105.1418	0.430	5	105.2537	0.383	60	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){3|C<3>}	104.9960	0.000	1	104.9960	0.000	1	105.2537	0.383	60	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){3|C<3>}	104.9790	0.075	2	104.9790	0.006	2	105.2537	0.383	60	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	104.5410	0.018	2	104.5410	0.000	2	105.2537	0.383	60	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(COO)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(SC)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(COO){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(SC){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<1>,1|S<2>,2|C<3>}	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<2>,2|C<3>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<2>}	105.5065	0.664	2	105.5065	0.441	2	105.5065	0.441	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	104.6800	0.000	2	104.6800	0.000	2	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|O<2>}	106.8610	0.000	1	106.8610	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	104.1287	0.697	7	104.1287	0.485	7	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|O<2>}	106.7030	0.000	1	106.7030	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|O<2>}	106.8590	0.000	1	106.8590	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	106.2692	0.099	4	105.9771	0.076	10	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	105.7823	0.132	6	105.9771	0.076	10	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHN){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|O<2>}	107.4445	0.195	8	107.4445	0.038	8	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHO){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cl<1>,1|O<2>}	107.1180	0.000	1	107.1180	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHO){1|Cl<1>,1|C<2>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|Cl<1>,1|O<2>}	106.9170	0.000	1	106.9170	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CHO){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|O<2>}	107.1630	0.000	1	107.1630	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CN[5]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CN[5]O){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|O<2>}	106.0650	0.000	1	106.0650	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|O<2>}	106.8350	0.000	1	106.8350	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|O<2>}	106.2860	0.000	1	106.2860	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|O<2>}	106.9330	0.000	1	106.9330	0.000	1	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(COO){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|O<2>}	107.8410	0.300	2	107.8410	0.090	2	106.1797	1.612	39	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|S<2>}	107.9590	0.000	1	107.9590	0.000	1	107.2903	0.420	3	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(COO){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|S<2>}	106.9560	0.412	2	106.9560	0.169	2	107.2903	0.420	3	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CC[6a]O){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	104.7280	0.028	2	104.7280	0.001	2	105.0110	0.117	4	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(COO){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	105.2940	0.170	2	105.2940	0.029	2	105.0110	0.117	4	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	107.8540	0.082	2	107.8540	0.007	2	107.8540	0.007	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(ORu)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|Ru<6>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(ORu){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	108.4880	0.180	2	108.4880	0.032	2	108.4880	0.032	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H){5|C<3>}	105.2120	0.115	2	105.2120	0.013	2	105.2120	0.013	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]N[5a])(SC)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|O<1>,1|S<2>,4|C<3>}	108.3365	0.019	2	108.3365	0.000	2	108.3365	0.000	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	108.8020	0.000	1	108.8020	0.000	1	108.8020	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	108.3160	0.042	2	108.3160	0.002	2	107.8953	0.240	4	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	107.4745	0.098	2	107.4745	0.010	2	107.8953	0.240	4	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	108.5110	0.000	1	108.5110	0.000	1	108.1480	0.264	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,1|S<2>,4|C<3>}	107.7850	0.000	1	107.7850	0.000	1	108.1480	0.264	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){1|C<2>,1|C<3>}	107.1060	0.098	3	107.1060	0.010	3	107.1060	0.010	3	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN){2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|C<2>,1|O<1>}	108.9570	0.140	2	108.9570	0.020	2	108.9570	0.020	2	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(NCH)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(NCH){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|C<3>}	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2){1|O<1>,2|C<4>,5|H<1>}	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(H){1|C<2>,1|O<1>,2|C<4>}	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)(OC)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)(OC){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,3|O<2>}	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	105.8880	0.000	1	105.8880	0.000	1	105.8880	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(SC)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(SC){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){2|C<3>,2|N<2>,2|S<2>}	106.1040	0.142	4	106.1040	0.020	4	106.1040	0.020	4	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){2|N<2>,3|C<3>}	104.8820	0.000	1	104.8820	0.000	1	104.8820	0.000	1	106.1014	1.743	164	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){2|N<2>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	104.6238	0.170	6	104.6238	0.029	6	104.6238	0.029	6	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	103.2410	0.000	1	103.2410	0.000	1	103.2410	0.000	1	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	103.9105	0.103	2	104.3790	0.664	3	104.3790	0.664	3	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	105.3160	0.000	1	104.3790	0.664	3	104.3790	0.664	3	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.4980	0.291	2	103.3972	0.044	4	103.3972	0.044	4	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	103.3560	0.000	1	103.3972	0.044	4	103.3972	0.044	4	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.2370	0.000	1	103.3972	0.044	4	103.3972	0.044	4	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	105.5283	0.364	3	105.5283	0.133	3	105.5283	0.133	3	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	106.7080	0.000	1	106.7080	0.000	1	106.0840	0.779	2	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	105.4600	0.000	1	105.4600	0.000	1	106.0840	0.779	2	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NC){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	106.6875	0.088	2	106.6875	0.008	2	106.0417	0.762	4	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH){1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	105.9480	0.000	1	105.3960	0.609	2	106.0417	0.762	4	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NN){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	104.8440	0.000	1	105.3960	0.609	2	106.0417	0.762	4	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<2>,2|C<3>}	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	104.8682	1.255	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN){3|C<3>}	105.1243	0.294	4	105.1243	0.087	4	105.1243	0.087	4	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(CHO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(CHO){5|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.4880	0.038	2	105.4880	0.001	2	105.4917	0.001	4	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(COO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(COO){5|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.4955	0.016	2	105.4955	0.000	2	105.4917	0.001	4	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	106.7010	0.000	1	106.7010	0.000	1	106.7010	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<2>,1|H<1>,4|C<3>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC){1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,1|O<2>,4|C<3>}	106.3100	0.000	1	106.3100	0.000	1	106.3100	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	105.5500	0.000	1	105.6359	0.172	30	105.5995	0.183	32	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	105.6389	0.422	29	105.6359	0.172	30	105.5995	0.183	32	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	105.1860	0.000	1	105.1860	0.000	1	105.5995	0.183	32	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	104.9220	0.000	1	104.9220	0.000	1	105.5995	0.183	32	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|N<2>,5|C<3>}	104.2100	0.000	1	104.2100	0.000	1	104.2100	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(COO)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS){3|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(COO){3|C<3>}	105.8590	0.000	1	105.8590	0.000	1	105.8590	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<3>,3|C<4>}	104.7095	0.141	2	104.7095	0.020	2	104.7095	0.020	2	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[5a])(CN)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[5a])(CN){1|N<3>,1|O<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|H<1>,6|C<3>}	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	107.8350	0.000	1	107.8350	0.000	1	108.2317	0.121	3	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.3710	0.000	1	108.3710	0.000	1	108.2317	0.121	3	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NHH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NHH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.4890	0.000	1	108.4890	0.000	1	108.2317	0.121	3	105.9038	1.023	55	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){3|C<3>}	104.8940	0.000	1	104.8940	0.000	1	104.8940	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	107.2770	0.137	2	107.2770	0.019	2	107.2770	0.019	2	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a])	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]S){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]){1|S<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	107.5710	0.000	1	107.5710	0.000	1	107.5710	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH){1|S<2>,4|C<3>}	105.4110	0.000	1	105.4110	0.000	1	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,4|C<3>}	105.7180	0.000	1	105.7180	0.000	1	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|N<2>,4|C<3>}	106.1280	0.000	1	105.9117	0.075	4	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	105.8397	0.284	3	105.9117	0.075	4	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	105.7560	0.944	20	105.7560	0.891	20	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	104.7730	0.000	1	104.7730	0.000	1	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	105.3957	0.324	3	105.3957	0.105	3	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	105.6856	0.396	5	105.6856	0.157	5	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	105.8065	0.054	4	105.8065	0.003	4	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	105.8883	0.281	3	105.8883	0.079	3	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	105.6140	0.000	1	105.6140	0.000	1	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){3|C<3>}	105.0960	0.000	1	105.0960	0.000	1	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH){3|C<3>}	105.6550	0.000	1	105.6550	0.000	1	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3){3|C<3>}	106.2940	0.000	1	106.2940	0.000	1	105.7138	0.455	46	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	108.0425	0.144	2	108.0425	0.021	2	108.0425	0.021	2	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(CNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	107.2783	0.528	6	107.2783	0.279	6	107.2783	0.279	6	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)(CCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)(CCH){1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]O[5a]O)(CC[6a]HH){1|C<3>}	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,1|H<1>,4|C<3>}	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NN){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	108.4204	0.474	5	108.4204	0.225	5	108.4204	0.225	5	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,2|N<2>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	105.7720	0.000	1	105.6567	0.204	18	105.6567	0.204	18	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	105.6499	0.465	17	105.6567	0.204	18	105.6567	0.204	18	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	105.5710	0.000	1	105.5710	0.000	1	105.5710	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|S<2>,2|C<3>}	110.9785	0.172	2	110.9785	0.030	2	110.9785	0.030	2	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(NCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(NOO)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(NOO){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	107.8240	0.000	1	107.8240	0.000	1	107.8240	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(NHS){3|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){3|C<3>}	106.5700	0.000	1	106.5700	0.000	1	106.5700	0.000	1	106.3626	1.786	94	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	4:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	104.7930	0.000	1	105.4660	0.906	2	105.4660	0.906	2	105.5707	0.486	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	4:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	106.1390	0.000	1	105.4660	0.906	2	105.4660	0.906	2	105.5707	0.486	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	4:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(NHH)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(NHH){1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	105.5707	0.486	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])2(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])2(NOO){1|H<1>,2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	104.7240	0.000	1	104.7240	0.000	1	105.7328	0.680	4	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NOO){1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|N<3>}	106.0690	0.584	3	106.0690	0.341	3	105.7328	0.680	4	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	105.9380	0.000	1	105.9380	0.000	1	105.7890	0.044	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	105.6400	0.000	1	105.6400	0.000	1	105.7890	0.044	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHS)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHS){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	105.4610	0.000	1	105.4610	0.000	1	105.3235	0.038	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(NOO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(NOO){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	105.1860	0.000	1	105.1860	0.000	1	105.3235	0.038	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CCH){1|P<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	106.3860	0.000	1	106.3860	0.000	1	106.6975	0.194	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CHN)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CHN){3|C<3>}	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	107.0090	0.000	1	107.0090	0.000	1	106.6975	0.194	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(COO){1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	104.8220	0.000	1	104.8220	0.000	1	104.8220	0.000	1	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2)	C[5a](C[5a]N[5a]C[5])2(NOO)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C[5])2(NOO){1|H<1>,2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NCH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NCH){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNO){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.1070	0.059	2	107.1070	0.004	2	106.9715	0.045	4	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(COO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH){1|S<2>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(COO){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	107.0080	0.000	1	107.0080	0.000	1	106.9715	0.045	4	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH)	C[5a](C[5a]N[5a]N)2(CNO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH){1|N<3>}	C[5a](C[5a]N[5a]N)2(CNO){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	106.6640	0.000	1	106.6640	0.000	1	106.9715	0.045	4	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(NOO)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]N)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(NOO){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]N)2{1|H<1>,1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	109.3098	0.324	4	109.3098	0.105	4	109.3098	0.105	4	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NHN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NHN){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	105.7910	0.000	1	105.7910	0.000	1	107.5905	6.476	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NOO)	C[5a](C[5a]N[5a]N)2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NHH){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|N<3>}	109.3900	0.000	1	109.3900	0.000	1	107.5905	6.476	2	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:O-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]O)(NOO)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]O)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|O<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O){2|N<3>}	106.9850	0.000	3	106.9850	0.000	3	106.9850	0.000	3	106.8082	2.180	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N){1|C<3>,1|N<2>,3|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NOO){1|C<3>,2|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH){1|C<3>,3|N<3>}	105.5750	0.081	2	105.5750	0.006	2	105.5750	0.006	2	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(COO){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<3>,1|C<4>}	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH){1|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN){2|N<3>}	103.2380	0.000	1	103.2380	0.000	1	103.2380	0.000	1	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NHH)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NHH){1|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	104.6350	0.000	1	104.6350	0.000	1	106.8120	3.563	3	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO)	C[5a](C[5a]N[5a]N)2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NHH){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	107.8110	0.000	1	107.8110	0.000	1	106.8120	3.563	3	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO)	C[5a](C[5a]N[5a]N)2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NHH){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	107.9900	0.000	1	107.9900	0.000	1	106.8120	3.563	3	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:N-3:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)(NOO)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2{2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NHH)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NHH){1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2){2|N<2>,2|N<3>}	104.6807	0.245	3	104.6807	0.060	3	106.5202	4.102	6	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NOO)	C[5a](C[5a]N[5a]N)2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NOO){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]N)2(NHH){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,4|N<3>}	108.3597	0.210	3	108.3597	0.044	3	106.5202	4.102	6	106.2616	3.068	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3){1|C<3>,3|N<3>}	104.5853	0.075	4	104.5853	0.006	4	104.5853	0.006	4	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	106.1010	0.000	1	106.1010	0.000	1	106.1010	0.000	1	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	104.3310	0.000	1	104.3310	0.000	1	104.2327	0.380	3	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(NOO){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	103.5730	0.000	1	103.5730	0.000	1	104.2327	0.380	3	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(NOO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(NOO){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	104.7940	0.000	1	104.7940	0.000	1	104.2327	0.380	3	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5]O)	C[5a](C[5a]N[5a]C)2(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5]O){1|C<4>}	C[5a](C[5a]N[5a]C)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	105.6400	0.000	1	105.6400	0.000	1	105.4020	0.113	2	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O)	C[5a](C[5a]N[5a]C)2(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O){1|C<4>}	C[5a](C[5a]N[5a]C)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	105.1640	0.000	1	105.1640	0.000	1	105.4020	0.113	2	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCS)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCS){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.2200	0.687	2	107.2200	0.472	2	106.9112	0.286	4	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CNN){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.5490	0.000	1	106.5490	0.000	1	106.9112	0.286	4	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]N)2(COO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|N<3>}	C[5a](C[5a]N[5a]N)2(COO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	106.6560	0.000	1	106.6560	0.000	1	106.9112	0.286	4	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH)	C[5a](C[5a]N[5a]N)2(COO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH){1|N<3>}	C[5a](C[5a]N[5a]N)2(COO){1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|N<3>}	105.3430	0.000	1	105.3430	0.000	1	105.3430	0.000	1	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(NHH){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	106.6780	0.000	1	106.6780	0.000	1	106.6780	0.000	1	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NC[5a]H)	C[5a](C[5a]N[5a]I)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NC[5a]H){1|I<1>}	C[5a](C[5a]N[5a]I)(C[5a]N[5a]N)(NOO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|I<1>,1|N<3>}	106.8440	0.011	2	106.8440	0.000	2	107.5401	1.475	10	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHN){1|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(NOO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	104.9900	0.000	1	104.9900	0.000	1	107.5401	1.475	10	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	C[5a](C[5a]N[5a]N)2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NHH){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	108.5355	0.265	2	108.5355	0.070	2	107.5401	1.475	10	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	C[5a](C[5a]N[5a]N)2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NHH){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	108.8265	0.189	2	108.8265	0.036	2	107.5401	1.475	10	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){2|N<3>}	107.2735	0.510	2	107.2735	0.260	2	107.5401	1.475	10	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	107.4520	0.000	1	107.4520	0.000	1	107.5401	1.475	10	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NOO){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	106.3140	0.000	1	106.3140	0.000	1	106.3140	0.000	1	106.3474	2.129	30	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	107.5365	0.254	2	107.5365	0.064	2	107.5365	0.064	2	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.1695	0.622	13	107.1695	0.387	13	107.1695	0.387	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,4|C<3>}	108.2168	0.683	6	108.2168	0.466	6	108.1864	0.395	7	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]S[5])(N[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	108.0040	0.000	1	108.0040	0.000	1	108.1864	0.395	7	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCO){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	106.8120	0.000	1	106.8120	0.000	1	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	106.8113	0.116	3	106.8113	0.013	3	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|S<2>,4|C<3>}	106.1430	0.000	1	106.2744	0.355	5	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	106.3072	0.683	4	106.2744	0.355	5	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,4|C<3>}	106.3827	0.422	3	106.4793	0.240	7	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Zn<5>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,4|C<3>}	106.5517	0.588	4	106.4793	0.240	7	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,5|C<3>}	106.4520	0.000	1	106.4520	0.000	1	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|O<2>,4|C<3>}	106.6240	0.000	1	106.8380	0.041	3	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	106.9450	0.115	2	106.8380	0.041	3	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	106.4600	0.000	1	106.4600	0.000	1	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|O<2>,4|C<3>}	107.0500	0.000	1	107.0500	0.000	1	106.5659	0.199	22	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	107.8906	0.465	5	107.8906	0.216	5	107.8873	0.113	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|S<2>,4|C<3>}	107.5610	0.000	1	107.5610	0.000	1	107.8873	0.113	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]H){6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|N<2>,2|S<2>}	107.9647	0.090	4	107.9647	0.008	4	107.8873	0.113	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	124.1880	0.000	1	124.1880	0.000	1	124.1880	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	119.3520	0.000	1	119.3520	0.000	1	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)2(H){1|N<3>,1|S<2>,4|C<3>}	120.4450	0.000	1	119.7142	0.287	4	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|N<3>,4|C<3>}	119.4707	0.273	3	119.7142	0.287	4	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,4|C<3>}	119.4690	0.000	1	119.4690	0.000	1	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,5|C<3>}	120.3460	0.000	1	120.3460	0.000	1	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	121.7440	0.000	1	121.7440	0.000	1	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(N[5a]C[5a]H){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(N[5a]C[5a]H){1|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|O<2>}	123.5360	0.000	1	123.5360	0.000	1	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]S)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]S)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	127.9110	0.000	1	127.9110	0.000	1	121.1215	7.507	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	107.1540	0.311	3	107.1540	0.097	3	107.7287	0.665	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,5|C<3>}	107.6063	0.461	3	107.6063	0.213	3	107.7287	0.665	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	107.4945	0.248	2	107.4945	0.062	2	107.7287	0.665	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|I<1>,1|O<2>,4|C<3>}	108.3685	1.134	4	108.3685	1.286	4	107.7287	0.665	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.2500	0.000	1	107.2500	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CNO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CNO){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){4|C<3>}	106.7930	0.000	1	106.7930	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){4|C<3>}	107.8860	0.000	1	107.8860	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	106.0790	0.000	1	106.0790	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.8855	0.036	2	107.8855	0.001	2	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	107.4610	0.000	1	107.4610	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.2240	0.000	1	107.2240	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|C<4>,5|C<3>}	107.4080	0.000	1	107.3975	0.000	2	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	107.3870	0.000	1	107.3975	0.000	2	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CHO)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	107.2455	0.067	2	107.2455	0.005	2	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	107.0590	0.000	1	107.0590	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	107.1720	0.357	4	107.1720	0.127	4	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	106.8000	0.000	1	106.8000	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	106.4930	0.000	1	106.4930	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	106.1343	0.172	3	106.1343	0.029	3	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	106.8640	0.304	2	106.8640	0.092	2	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COS)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COS){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.0030	0.000	1	107.0030	0.000	1	107.0370	0.301	25	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	109.4180	0.000	1	109.4180	0.000	1	109.4180	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	106.2920	0.000	1	106.2920	0.000	1	106.2920	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6]){1|Co<4>,1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	106.2320	0.318	2	106.2320	0.101	2	106.2320	0.101	2	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,5|C<3>}	107.8490	0.197	3	107.8490	0.039	3	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,5|C<3>}	107.1660	0.000	1	107.1660	0.000	1	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	106.9740	0.000	1	106.9740	0.000	1	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	107.5240	0.000	1	107.2365	0.165	2	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	106.9490	0.000	1	107.2365	0.165	2	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	108.1960	0.079	2	108.1960	0.006	2	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	107.5160	0.000	1	107.5160	0.000	1	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	106.7465	0.491	2	106.7465	0.242	2	107.4634	0.316	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6a]H){2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|N<2>}	106.5660	0.000	1	106.5660	0.000	1	106.5660	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	105.1610	0.000	1	105.3475	0.070	2	105.5540	0.163	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	105.5340	0.000	1	105.3475	0.070	2	105.5540	0.163	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]N[5]){1|Se<1>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	105.9670	0.000	1	105.9670	0.000	1	105.5540	0.163	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2){4|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(COO)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(COO){1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|H<1>,1|S<2>,2|C<3>}	109.0390	0.000	1	109.5313	0.212	3	109.5313	0.212	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(COO)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(COO){1|S<2>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	109.7775	0.247	2	109.5313	0.212	3	109.5313	0.212	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CCC)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CCC){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<2>,3|C<3>}	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(COO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.6830	0.222	2	109.6830	0.049	2	109.6830	0.049	2	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.2580	0.000	1	109.2580	0.000	1	109.1631	0.091	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.8850	0.000	1	108.8850	0.000	1	109.1631	0.091	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.8527	0.357	3	108.8527	0.128	3	109.1631	0.091	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.4095	0.087	2	109.4095	0.008	2	109.1631	0.091	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.4380	0.000	1	109.4380	0.000	1	109.1631	0.091	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.2502	0.273	4	109.2502	0.075	4	109.1631	0.091	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	109.1610	0.000	1	109.1610	0.000	1	109.1631	0.091	13	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[5a]C[6a]){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNN){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	110.0850	0.000	1	110.0850	0.000	1	109.7597	0.103	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CNO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.6678	0.389	5	109.6678	0.151	5	109.7597	0.103	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	110.2000	0.000	1	109.8157	0.129	3	109.7597	0.103	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	109.6235	0.193	2	109.8157	0.129	3	109.7597	0.103	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	110.0000	0.000	1	109.8515	0.044	2	109.7597	0.103	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|O<2>,3|C<3>}	109.7030	0.000	1	109.8515	0.044	2	109.7597	0.103	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(COO){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.5420	0.000	1	109.5420	0.000	1	109.7597	0.103	12	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	108.2087	0.144	3	108.2087	0.021	3	108.1305	0.038	4	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(CNS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(CNS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	107.8960	0.000	1	107.8960	0.000	1	108.1305	0.038	4	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	106.9140	0.000	1	106.9140	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	106.6465	0.213	2	106.6465	0.045	2	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	107.4710	0.000	1	107.4710	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO){1|S<2>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H){1|C<3>,1|S<2>}	107.7940	0.000	1	107.7940	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	106.7300	0.000	1	106.7300	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	105.7470	1.317	2	105.7470	1.734	2	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	104.8880	0.000	1	104.8880	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	106.2140	0.000	1	106.2140	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	106.0185	0.237	2	106.0185	0.056	2	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	106.1430	0.000	1	106.1430	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	108.1880	0.000	1	108.1880	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	106.7690	0.000	1	106.7690	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	106.8210	0.000	1	106.8210	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<2>,1|C<3>}	108.3200	0.000	1	108.3200	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	107.5500	0.156	2	107.5902	0.019	4	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.6305	0.166	2	107.5902	0.019	4	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	107.8500	0.000	1	107.8500	0.000	1	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.3795	0.054	2	107.3795	0.003	2	106.9186	0.845	24	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	106.3192	0.372	4	106.3192	0.138	4	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.3230	0.000	1	107.3230	0.000	1	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	106.0120	0.619	2	106.0120	0.384	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	106.7220	0.000	1	106.7220	0.000	1	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]C[6]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	108.1410	1.181	2	108.1410	1.394	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6]O){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.9435	0.151	2	107.9435	0.023	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.3140	0.132	2	107.3440	1.181	8	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.3540	1.284	6	107.3440	1.181	8	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<2>,3|C<3>}	107.7103	0.385	4	107.7103	0.148	4	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	107.8640	0.000	1	107.6875	0.062	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.5110	0.000	1	107.6875	0.062	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	106.9320	0.000	1	106.9320	0.000	1	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|S<2>}	107.3025	0.343	2	107.3025	0.118	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	108.0405	0.095	2	108.0405	0.009	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.7650	0.000	2	108.0095	0.246	18	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CNO){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	108.0401	0.520	16	108.0095	0.246	18	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CN[5a]O){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.4390	0.118	4	107.4390	0.014	4	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	108.1160	0.000	1	108.1160	0.000	1	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	108.1410	0.069	2	108.1410	0.005	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.4275	0.005	2	107.8278	0.238	4	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	108.2280	0.273	2	107.8278	0.238	4	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|Cl<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){2|C<3>}	107.7620	0.586	3	107.7620	0.344	3	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	107.8035	0.131	2	107.8035	0.017	2	107.6097	0.562	65	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CCH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|N<3>}	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(CC[6a]O){2|Cl<1>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)(H){1|Cl<1>,1|N<3>}	106.7975	0.441	2	106.7975	0.194	2	106.9218	0.251	5	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO){2|Br<1>,2|C<3>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(N[5a]C[5a]2){2|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|Br<1>,1|N<3>}	107.7110	0.000	1	107.7110	0.000	1	106.9218	0.251	5	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2){1|Cl<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	106.7250	0.000	1	106.6515	0.011	2	106.9218	0.251	5	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[5a]C[5a]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	106.5780	0.000	1	106.6515	0.011	2	106.9218	0.251	5	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(CHO){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	107.2805	0.548	2	107.2805	0.300	2	107.5773	0.414	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[6])(N[5a]C[5a]H)(COO){1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(N[6]C[6]2){2|C<4>,6|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|N<3>}	108.1710	0.000	1	108.1710	0.000	1	107.5773	0.414	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(CC[5]Pd)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(CC[5]Pd){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Pd<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	107.4010	0.000	1	107.4010	0.000	1	106.9583	0.270	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]C){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	106.7370	0.496	2	106.7370	0.246	2	106.9583	0.270	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,2|N<3>,3|C<3>}	107.1660	0.000	1	108.0503	0.615	3	108.0503	0.615	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.4925	0.240	2	108.0503	0.615	3	108.0503	0.615	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,2|C<3>,2|C<4>,2|N<2>,3|N<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])(H){1|N<2>,5|C<3>}	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.6635	0.145	2	108.6635	0.021	2	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|N<2>,4|C<3>}	108.8470	0.000	1	108.8470	0.000	1	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	109.2420	0.209	2	109.2420	0.044	2	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.8750	0.000	1	109.1146	0.130	5	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	109.1745	0.387	4	109.1146	0.130	5	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	109.4134	0.339	5	109.4134	0.115	5	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.9510	0.000	1	108.9510	0.000	1	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	109.4170	0.000	1	108.4017	0.997	3	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	107.8940	0.669	2	108.4017	0.997	3	109.0239	0.300	19	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.5840	0.000	1	108.5840	0.000	1	108.6680	0.306	8	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|O<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.6800	0.596	7	108.6800	0.356	7	108.6680	0.306	8	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){5|C<3>}	108.0510	0.000	1	108.0510	0.000	1	108.0510	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	108.9350	0.000	1	108.9350	0.000	1	109.1963	1.276	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	108.1845	0.170	2	108.1845	0.029	2	109.1963	1.276	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	109.3780	0.167	2	109.6573	1.567	6	109.1963	1.276	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|Cl<1>,5|C<3>}	108.9880	0.000	1	109.6573	1.567	6	109.1963	1.276	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	110.0667	1.830	3	109.6573	1.567	6	109.1963	1.276	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	108.7150	0.000	1	108.7150	0.000	1	109.1963	1.276	10	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,5|C<3>}	108.2700	0.000	1	107.7305	0.582	2	107.7305	0.582	2	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,5|C<3>}	107.1910	0.000	1	107.7305	0.582	2	107.7305	0.582	2	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(NCH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	111.4090	0.028	2	111.4090	0.001	2	111.4090	0.001	2	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(NHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(NHH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(COO){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O){1|H<1>,2|C<3>,2|C<4>}	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(NCS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(NCS){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2){3|C<4>,4|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|C<3>}	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NCS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NCS){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){4|C<3>}	108.1450	0.000	1	108.1450	0.000	1	108.7357	0.270	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[6a]S)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[6a]S){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|C<3>}	108.9410	0.000	1	108.9410	0.000	1	108.7357	0.270	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NHH){2|C<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){1|C<2>,1|C<3>}	109.1210	0.000	1	109.1210	0.000	1	108.7357	0.270	3	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,5|C<3>}	109.5480	0.516	2	109.5480	0.266	2	109.5480	0.266	2	108.2839	7.716	319	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]O){2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	104.7020	0.000	1	104.7020	0.000	1	104.7020	0.000	1	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(OH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C)2(OH){1|C<3>,1|C<4>}	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH){1|H<1>,5|C<3>}	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	105.7140	0.000	1	105.7140	0.000	1	106.0180	0.220	7	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.7690	0.000	1	105.7690	0.000	1	106.0180	0.220	7	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	106.1286	0.526	5	106.1286	0.276	5	106.0180	0.220	7	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	106.4160	0.000	1	106.7558	0.060	4	106.9030	0.094	7	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.8690	0.111	3	106.7558	0.060	4	106.9030	0.094	7	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.0993	0.300	3	107.0993	0.090	3	106.9030	0.094	7	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CCO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.8350	0.000	1	106.8350	0.000	1	106.8350	0.000	1	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	105.9930	0.000	1	105.9930	0.000	1	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]O){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	106.0440	0.141	2	106.0440	0.020	2	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHN)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHN){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	106.3810	0.000	1	106.3810	0.000	1	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	105.3720	0.000	1	105.3720	0.000	1	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	104.8930	0.000	1	105.5683	0.342	3	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	105.9060	0.023	2	105.5683	0.342	3	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CNO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	105.9160	0.470	2	105.9160	0.220	2	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	106.1550	0.000	1	105.5320	0.212	4	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,5|C<3>}	105.0470	0.000	1	105.5320	0.212	4	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.4630	0.042	2	105.5320	0.212	4	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])2(COO){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	105.8320	0.000	1	105.8320	0.000	1	105.7554	0.192	15	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCH){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.6670	0.000	1	106.6670	0.000	1	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCN){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.0680	0.000	1	108.0680	0.000	1	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.7310	0.000	1	105.7310	0.000	1	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.4750	0.000	1	106.4750	0.000	1	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]O)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]O){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.2720	0.000	1	106.2720	0.000	1	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	106.0560	0.000	1	106.3495	0.172	2	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.6430	0.000	1	106.3495	0.172	2	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.6040	0.000	1	105.6040	0.000	1	106.4395	0.589	8	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	105.6670	0.000	1	105.6670	0.000	1	105.8990	0.135	3	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CHO){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	106.3220	0.000	1	106.3220	0.000	1	105.8990	0.135	3	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	105.7080	0.000	1	105.7080	0.000	1	105.8990	0.135	3	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(NHH)	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(NHH){1|C<4>,4|C<3>}	C[5a](C[5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,2|N<3>}	104.4590	0.000	1	104.6397	0.024	3	105.4825	2.858	4	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH)	C[5a](C[5a]N[5a]N)2(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH){1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]N)2(NOO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,3|N<3>}	104.7300	0.000	2	104.6397	0.024	3	105.4825	2.858	4	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NOO)	C[5a](C[5a]N[5a]N)2(NHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NOO){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]N)2(NHH){1|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,5|N<3>}	108.0110	0.000	1	108.0110	0.000	1	105.4825	2.858	4	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.8110	0.317	2	105.8110	0.100	2	105.8110	0.100	2	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHN)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHN){3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	107.8853	0.308	3	107.8853	0.095	3	107.9348	0.121	5	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(CHO){3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	107.6370	0.000	1	107.6370	0.000	1	107.9348	0.121	5	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]S)(COO)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]S)(COO){3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,5|C<3>}	108.3810	0.000	1	108.3810	0.000	1	107.9348	0.121	5	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N[6]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(CHO){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	106.2110	0.000	1	106.2110	0.000	1	106.2110	0.000	1	106.2949	0.850	58	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5a]O[5a])(N[5a]C[5,5a]N)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5a]O[5a])(N[5a]C[5,5a]N){1|H<1>,6|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]2)(NCH){1|O<2>,5|C<3>}	107.7585	0.415	2	107.7585	0.172	2	107.7585	0.172	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,8|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC){1|C<3>,1|N<3>,2|H<1>}	122.3300	0.000	1	122.3300	0.000	1	123.6595	3.535	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N)	N[5a](C[5a]C[5a]2)2(NCC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]N){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)2(NCC){2|C<3>,2|H<1>,2|N<3>}	124.9890	0.000	1	124.9890	0.000	1	123.6595	3.535	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N){1|O<2>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	108.0640	0.000	1	107.5780	0.472	2	107.5780	0.472	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N){1|O<2>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	107.0920	0.000	1	107.5780	0.472	2	107.5780	0.472	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO){1|H<1>,3|C<3>}	106.7250	0.000	1	106.7250	0.000	1	106.9185	0.075	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])2(CCO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(CCO){1|H<1>,5|C<3>}	107.1120	0.000	1	107.1120	0.000	1	106.9185	0.075	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCH){1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	107.7430	0.000	1	107.7430	0.000	1	107.7430	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(CCO){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)(CC[6a]O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[5a]N[5a]2){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.9950	0.000	1	107.9950	0.000	1	108.0643	0.062	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	107.8580	0.000	1	107.8580	0.000	1	108.0643	0.062	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	108.3400	0.000	1	108.3400	0.000	1	108.0643	0.062	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,1|N<2>,4|C<3>}	109.3430	0.000	1	109.7237	0.129	3	109.7237	0.129	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,1|N<2>,4|C<3>}	110.0570	0.000	1	109.7237	0.129	3	109.7237	0.129	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,1|N<2>,4|C<3>}	109.7710	0.000	1	109.7237	0.129	3	109.7237	0.129	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]C[5])	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	105.7520	0.000	1	105.7520	0.000	1	105.7520	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CHO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C)	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[5])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[6]){1|H<1>,2|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH){6|C<3>}	107.4550	0.000	1	107.5693	0.037	3	107.5693	0.037	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH){6|C<3>}	107.6265	0.234	2	107.5693	0.037	3	107.5693	0.037	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	108.3295	0.258	2	108.3295	0.067	2	108.6234	0.456	5	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|H<1>,5|C<3>}	109.8070	0.000	1	109.8070	0.000	1	108.6234	0.456	5	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN){1|C<4>,5|C<3>}	108.3255	0.090	2	108.3255	0.008	2	108.6234	0.456	5	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	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>}	108.2210	0.000	1	108.2210	0.000	1	109.0390	0.342	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|H<1>,5|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.0390	0.342	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	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>}	109.1960	0.229	2	109.1960	0.052	2	109.0390	0.342	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<3>,7|C<3>}	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	108.8290	0.361	2	108.8290	0.130	2	109.0413	0.158	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.5400	0.000	1	109.5400	0.000	1	109.0413	0.158	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	108.9670	0.000	1	108.9670	0.000	1	109.0413	0.158	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	108.6575	0.549	2	108.6575	0.302	2	108.6575	0.302	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.1280	0.000	1	107.1280	0.000	1	107.6660	0.579	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	108.2040	0.000	1	108.2040	0.000	1	107.6660	0.579	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	108.8595	0.588	2	108.8595	0.345	2	108.8595	0.345	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	108.0030	0.000	1	106.8810	0.658	4	106.8810	0.658	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<4>,1|F<1>,1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|C<4>,7|C<3>}	106.4140	0.494	2	106.8810	0.658	4	106.8810	0.658	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<3>,2|C<4>,6|C<3>}	106.6930	0.000	1	106.8810	0.658	4	106.8810	0.658	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(NHS){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N){2|H<1>,5|C<3>}	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.2715	0.105	2	108.2715	0.011	2	108.2715	0.011	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,9|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,9|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	108.9175	0.206	4	108.9175	0.042	4	108.9175	0.042	4	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|C<3>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	106.8250	0.000	1	106.8250	0.000	1	107.6567	0.694	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	108.4910	0.000	1	108.4910	0.000	1	107.6567	0.694	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.6540	0.000	1	107.6540	0.000	1	107.6567	0.694	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2){2|H<1>,2|N<2>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	104.2720	0.000	1	104.2720	0.000	1	104.2720	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O){1|O<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	107.9840	0.065	2	107.9840	0.004	2	107.5510	0.565	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(COO){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	106.6850	0.000	1	106.6850	0.000	1	107.5510	0.565	3	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCO){1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.8990	0.000	1	107.8990	0.000	1	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	107.3820	0.000	1	107.3820	0.000	1	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	106.9700	0.000	1	106.8625	0.023	2	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	106.7550	0.000	1	106.8625	0.023	2	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	107.7290	0.000	1	107.7105	0.001	2	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.6920	0.000	1	107.7105	0.001	2	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHO){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	107.5497	0.391	3	107.5497	0.153	3	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(CHO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	107.2120	0.455	2	107.2120	0.207	2	107.4091	0.169	11	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|C<4>,5|C<3>}	107.0910	0.076	2	107.0910	0.006	2	107.0910	0.006	2	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	106.7270	0.000	1	106.7270	0.000	1	105.9025	1.082	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHS)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHS){1|C<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	106.6980	0.000	1	106.6980	0.000	1	105.9025	1.082	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NOO)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(NOO){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	105.0650	0.000	1	105.0650	0.000	1	105.9025	1.082	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NOO)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NOO){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	105.2650	0.000	1	105.2650	0.000	1	105.9025	1.082	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(NOO)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(NOO){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|I<1>,1|N<3>,2|H<1>,6|C<3>}	104.6100	0.000	1	104.6100	0.000	1	105.9025	1.082	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Si)(NHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Si)(NHH){1|C<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|H<1>,4|C<3>}	107.0500	0.000	1	107.0500	0.000	1	105.9025	1.082	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NCH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NCH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	107.7453	0.213	3	107.7453	0.045	3	107.5108	0.166	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH)	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]N)(NCH)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH){1|Si<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]N)(NCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	107.5090	0.288	2	107.5090	0.083	2	107.5108	0.166	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NHH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NHH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NOO){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	106.8110	0.000	1	106.8110	0.000	1	107.5108	0.166	6	108.3722	9.164	95	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|O<2>,4|C<3>}	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]O)(CH3){1|C<4>,3|C<3>}	107.1485	0.545	2	107.1485	0.297	2	112.1583	75.444	3	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(CH3){1|C<3>,1|N<3>,2|H<1>}	122.1780	0.000	1	122.1780	0.000	1	112.1583	75.444	3	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	107.2950	0.000	1	107.2950	0.000	1	107.5380	0.044	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(COO){2|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	107.4340	0.000	1	107.4340	0.000	1	107.5380	0.044	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)(COO){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	107.7115	0.040	2	107.7115	0.002	2	107.5380	0.044	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	107.1275	0.646	2	107.1275	0.417	2	107.5783	0.818	3	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	108.4800	0.000	1	108.4800	0.000	1	107.5783	0.818	3	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){4|C<3>}	106.8550	0.000	1	106.8550	0.000	1	106.8550	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|N<3>,3|C<3>}	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(COO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(COO){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CCN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CCN){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.7430	0.000	1	109.7430	0.000	1	109.0945	0.449	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.5180	0.086	2	108.8783	0.393	3	109.0945	0.449	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNO){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.5990	0.000	1	108.8783	0.393	3	109.0945	0.449	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.3460	0.402	3	108.3460	0.161	3	108.3650	0.109	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.4220	0.000	1	108.4220	0.000	1	108.3650	0.109	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCC){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.1490	0.000	1	109.1490	0.000	1	109.4048	0.057	5	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CCH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|H<1>,3|C<3>}	109.4688	0.222	4	109.4688	0.049	4	109.4048	0.057	5	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	109.2150	0.000	1	109.2150	0.000	1	109.6720	0.418	2	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	110.1290	0.000	1	110.1290	0.000	1	109.6720	0.418	2	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	107.8220	0.000	1	107.8220	0.000	1	107.2907	0.352	7	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	107.2350	0.000	1	107.2350	0.000	1	107.2907	0.352	7	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	107.6810	0.000	1	107.6810	0.000	1	107.2907	0.352	7	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>}	106.0420	0.000	1	106.0420	0.000	1	107.2907	0.352	7	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	107.6300	0.000	1	107.6300	0.000	1	107.2907	0.352	7	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	107.3210	0.000	1	107.3210	0.000	1	107.2907	0.352	7	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	107.3040	0.000	1	107.3040	0.000	1	107.2907	0.352	7	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	108.1900	0.000	1	108.1900	0.000	1	107.8460	0.201	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	107.5170	0.000	1	107.5170	0.000	1	107.8460	0.201	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	107.4040	0.000	1	107.4040	0.000	1	107.8460	0.201	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	108.2730	0.000	1	108.2730	0.000	1	107.8460	0.201	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CCO){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|H<1>}	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,6|C<3>}	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	108.4380	0.000	1	108.4380	0.000	1	109.1541	0.149	11	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	109.2775	0.276	2	109.2775	0.076	2	109.1541	0.149	11	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	109.2477	0.487	3	109.2477	0.237	3	109.1541	0.149	11	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.6730	0.000	1	109.3635	0.192	2	109.1541	0.149	11	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHO){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.0540	0.000	1	109.3635	0.192	2	109.1541	0.149	11	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(COO){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	109.2870	0.000	1	109.2870	0.000	1	109.1541	0.149	11	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	108.9725	0.071	2	108.9725	0.005	2	109.1541	0.149	11	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCC){1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	108.3230	0.000	1	108.3230	0.000	1	108.8445	0.544	2	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.3660	0.000	1	109.3660	0.000	1	108.8445	0.544	2	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	109.3925	0.322	2	109.3925	0.104	2	109.5569	0.071	9	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	109.1430	0.000	1	109.1430	0.000	1	109.5569	0.071	9	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.6025	0.087	2	109.6025	0.008	2	109.5569	0.071	9	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	109.8750	0.000	1	109.8950	0.001	2	109.5569	0.071	9	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	109.9150	0.000	1	109.8950	0.001	2	109.5569	0.071	9	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	109.5445	0.040	2	109.5445	0.002	2	109.5569	0.071	9	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH){1|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	110.5417	0.141	3	110.5417	0.020	3	110.7438	0.177	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NHS){1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]N){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	111.3500	0.000	1	111.3500	0.000	1	110.7438	0.177	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	111.0590	0.000	1	111.0590	0.000	1	111.1444	0.017	5	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,3|C<3>}	111.2120	0.000	1	111.1658	0.019	4	111.1444	0.017	5	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	111.0220	0.000	1	111.1658	0.019	4	111.1444	0.017	5	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	111.0920	0.000	1	111.1658	0.019	4	111.1444	0.017	5	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	111.3370	0.000	1	111.1658	0.019	4	111.1444	0.017	5	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SCOO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(NCH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SCOO){1|H<1>,3|C<3>}	109.2950	0.136	2	109.2950	0.018	2	109.2950	0.018	2	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)(NHS){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]N){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>}	109.3090	0.000	1	109.3090	0.000	1	109.3090	0.000	1	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|N<3>}	109.0485	0.217	2	109.0485	0.047	2	109.7167	0.722	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)2(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(NOO){2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]N)(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)2(CH3){2|N<3>}	110.3850	0.576	2	110.3850	0.331	2	109.7167	0.722	4	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|B<4>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|B<4>,1|C<4>}	N[5a](Ge[5a]N[5a]B)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	113.7110	1.022	2	113.7110	1.045	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Br<1>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Br<1>,1|C<4>}	N[5a](Ge[5a]N[5a]Br)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	112.2480	0.413	2	112.2480	0.171	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	113.6047	0.307	4	113.6047	0.095	4	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<2>,1|C<4>}	N[5a](Ge[5a]N[5a]C)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	112.9210	0.047	2	112.9210	0.002	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Cd)(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Cd<4>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Cd<4>,1|C<4>}	N[5a](Ge[5a]N[5a]Cd)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	113.0175	0.824	2	113.0175	0.679	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Cl<1>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Cl<1>,1|C<4>}	N[5a](Ge[5a]N[5a]Cl)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	113.5395	1.145	2	113.5395	1.311	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|N<3>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|N<3>}	N[5a](Ge[5a]N[5a]N)(C[5a]C[5a]C)(CCCH){1|C<3>,1|C<4>}	112.8650	0.049	2	112.8650	0.002	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CC3){1|C<3>,1|C<4>}	113.3628	0.266	4	113.3628	0.071	4	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|O<2>}	N[5a](Ge[5a]N[5a]O)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	112.6660	1.361	4	112.6660	1.852	4	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|S<2>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|C<4>,1|S<2>}	N[5a](Ge[5a]N[5a]S)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	112.0485	0.637	2	112.0485	0.406	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	Ge[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH)	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH)	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Se<2>,1|C<4>}	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]C)(CCH){1|Se<2>,1|C<4>}	N[5a](Ge[5a]N[5a]Se)(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>}	112.6085	0.134	2	112.6085	0.018	2	113.0161	0.630	28	110.0564	5.581	115	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:N[5a]-3:N-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	106.7033	0.178	3	106.7033	0.032	3	106.7327	0.025	4	106.6629	0.254	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:N[5a]-3:N-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	106.8210	0.000	1	106.8210	0.000	1	106.7327	0.025	4	106.6629	0.254	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(COO){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,5|H<1>}	105.6250	0.000	1	105.6250	0.000	1	105.6250	0.000	1	106.6629	0.254	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:P[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]N)2(COO)	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]C)(NHH){1|N<3>,1|O<1>,2|O<2>}	C[5a](C[5a]N[5a]N)2(COO){1|P<4>}	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>}	107.0420	0.257	2	107.0420	0.066	2	107.0420	0.066	2	106.6629	0.254	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(CHO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(CHO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	106.7280	0.000	1	106.7280	0.000	1	106.9600	0.108	2	106.9600	0.108	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(COO)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	107.1920	0.000	1	107.1920	0.000	1	106.9600	0.108	2	106.9600	0.108	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	105.7870	0.000	1	105.7870	0.000	1	107.2983	1.227	6	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	106.4940	0.000	1	106.4940	0.000	1	107.2983	1.227	6	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	107.8750	0.346	2	107.8750	0.120	2	107.2983	1.227	6	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	107.8795	1.320	2	107.8795	1.743	2	107.2983	1.227	6	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	106.3641	0.210	7	106.3641	0.044	7	106.3641	0.044	7	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.3170	0.000	1	106.3170	0.000	1	106.9430	0.215	4	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCO)	C[5a](C[5a]N[5a]C)2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCO){1|C<3>}	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	107.1790	0.000	1	107.1790	0.000	1	106.9430	0.215	4	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(COO)	C[5a](C[5a]N[5a]C)2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(COO){1|C<4>}	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	107.1380	0.348	2	107.1380	0.121	2	106.9430	0.215	4	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])2(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(CH3){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	107.0670	0.000	1	107.0670	0.000	1	107.0670	0.000	1	106.8432	0.587	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[3]-4:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S)	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])2(C[3]C[3]2H){1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	105.2410	0.000	1	105.2410	0.000	1	105.2410	0.000	1	106.6082	1.690	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	105.8010	0.000	1	105.8010	0.000	1	105.8010	0.000	1	106.6082	1.690	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CC[5a]CH){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.6955	0.431	2	107.6955	0.185	2	107.6955	0.185	2	106.6082	1.690	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.1782	0.304	5	107.1782	0.092	5	107.0301	0.199	7	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	106.6600	0.665	2	106.6600	0.442	2	107.0301	0.199	7	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[4]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[4]C[4,6]C[4])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]C)(H)	C[5a](C[4]C[4,6]C[4])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,3|C<4>}	107.0080	0.000	1	107.0080	0.000	1	107.3043	0.377	12	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	108.0560	0.365	2	107.4496	0.262	8	107.3043	0.377	12	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	107.2475	0.379	6	107.4496	0.262	8	107.3043	0.377	12	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	106.5420	0.684	2	106.5420	0.469	2	107.3043	0.377	12	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.9630	0.000	1	107.9630	0.000	1	107.3043	0.377	12	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,4|C<3>}	109.0565	0.699	2	109.0565	0.489	2	108.8329	0.294	15	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|B<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.6670	0.000	1	108.6670	0.000	1	108.8329	0.294	15	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCCH){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]2)(H){1|C<4>,2|N<3>,3|C<3>}	108.5560	0.443	8	108.5560	0.196	8	108.8329	0.294	15	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.6945	0.021	2	109.6945	0.000	2	108.8329	0.294	15	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	108.9380	0.074	2	108.9380	0.005	2	108.8329	0.294	15	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]N[5a,6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	106.4980	0.197	2	106.4980	0.039	2	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	108.2540	0.000	1	108.2817	0.084	3	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	108.2955	0.409	2	108.2817	0.084	3	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|C<4>,2|N<3>}	106.6138	0.380	5	106.6138	0.144	5	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	107.6633	0.491	4	107.8522	0.359	5	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|N<3>}	108.6080	0.000	1	107.8522	0.359	5	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	107.2250	0.000	1	107.2197	0.354	6	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	107.2186	0.665	5	107.2197	0.354	6	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	107.9537	0.216	4	107.9537	0.047	4	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|C<4>,2|N<3>}	107.6425	0.550	6	107.6425	0.302	6	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.7620	0.000	1	105.7620	0.000	1	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|O<2>}	107.7895	0.105	4	107.7895	0.011	4	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|S<2>,2|C<4>}	107.2200	0.106	2	107.2200	0.011	2	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]2)2(H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)2(H){2|C<3>,2|C<4>,2|N<3>}	107.4467	0.558	8	107.4467	0.311	8	107.4368	0.467	46	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	108.3330	0.000	1	108.3330	0.000	1	107.7129	0.202	22	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	108.4775	0.090	2	108.4775	0.008	2	107.7129	0.202	22	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	107.5306	0.282	11	107.5306	0.080	11	107.7129	0.202	22	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HS){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	107.6280	0.000	1	107.6280	0.000	1	107.7129	0.202	22	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	108.0740	0.048	2	108.0740	0.002	2	107.7129	0.202	22	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	107.4105	0.480	4	107.4105	0.230	4	107.7129	0.202	22	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|C<4>,5|C<3>}	108.1400	0.000	1	108.1400	0.000	1	107.7129	0.202	22	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[5a]HH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	108.3170	0.000	1	108.3170	0.000	1	108.8927	0.254	3	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	109.1805	0.100	2	109.1805	0.010	2	108.8927	0.254	3	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	105.8410	0.000	1	105.8410	0.000	1	105.8410	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,3|C<4>}	107.8620	0.044	2	107.7280	0.025	4	107.7280	0.025	4	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]H)(CC[5]H){2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	107.5940	0.041	2	107.7280	0.025	4	107.7280	0.025	4	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.4847	0.368	6	108.4847	0.135	6	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.7880	0.000	1	108.7880	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCCH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<2>,2|C<3>}	108.4050	0.000	1	108.4050	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.2020	0.000	1	109.2020	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.4417	0.366	3	109.3830	0.103	4	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	109.2070	0.000	1	109.3830	0.103	4	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.9065	0.353	2	108.9065	0.125	2	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.5480	0.062	2	109.5480	0.004	2	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.7680	0.000	1	108.7680	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.7870	0.000	1	108.7870	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.2040	0.000	1	109.2040	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	109.3150	0.000	1	109.3150	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.0140	0.000	1	109.0140	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.4680	0.000	1	109.4680	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.4780	0.000	1	109.4780	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.7970	0.000	1	109.8310	0.002	2	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.8650	0.000	1	109.8310	0.002	2	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CPdN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CPdN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.3930	0.000	1	109.3930	0.000	1	109.0679	0.248	27	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(SCOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(SCOO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>}	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	106.5535	0.107	2	106.5535	0.011	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|S<2>,2|C<4>}	107.1420	0.054	2	107.1420	0.003	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.7715	0.183	2	106.7715	0.034	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	107.2030	0.000	1	107.2030	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.4710	0.521	4	107.4710	0.271	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.8995	0.612	2	107.8995	0.374	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCO){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.1880	0.033	2	107.1880	0.001	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.8325	0.124	2	106.8325	0.015	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.1736	0.424	20	107.1736	0.180	20	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	107.3750	0.290	3	107.5210	0.083	5	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	107.7400	0.071	2	107.5210	0.083	5	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.7413	0.452	9	106.8470	0.444	13	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.0847	1.059	4	106.8470	0.444	13	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	106.1340	0.185	2	106.4807	0.378	3	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,3|C<4>}	107.1740	0.000	1	106.4807	0.378	3	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	103.8510	0.000	2	103.8510	0.000	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.0530	0.232	4	107.0530	0.054	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.5723	0.407	6	107.5723	0.165	6	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]S)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5]S){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.3787	0.611	12	106.3787	0.373	12	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.5797	0.633	6	106.5797	0.401	6	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]C[6]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.3030	0.768	2	107.3030	0.590	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	106.8150	0.366	2	106.8150	0.134	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.5247	0.514	10	107.5247	0.264	10	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	106.4750	0.236	2	106.4750	0.056	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.7460	0.000	1	106.4495	0.234	6	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	106.8280	0.000	1	106.4495	0.234	6	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.2808	0.524	4	106.4495	0.234	6	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	104.7730	0.000	2	104.7730	0.000	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.9480	0.000	1	106.9480	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.0255	0.159	2	107.0255	0.025	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6]O){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.2470	0.000	1	107.2470	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	108.6440	0.000	1	108.6440	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.3941	0.288	8	106.3941	0.083	8	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	106.7714	0.365	7	106.7714	0.133	7	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.9690	0.020	2	107.0020	0.003	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.0350	0.074	2	107.0020	0.003	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	106.4032	0.367	4	106.4032	0.135	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	106.8645	0.220	2	106.8645	0.048	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	107.9410	0.000	1	107.9410	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	106.9220	0.000	1	106.9220	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.1410	0.458	4	108.1410	0.210	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.1840	0.492	4	107.1840	0.242	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.5467	0.601	3	107.3910	0.337	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.9240	0.000	1	107.3910	0.337	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHHO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	107.4040	0.000	1	107.4040	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHS){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.2930	0.000	1	106.2930	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<4>}	107.3915	0.084	2	107.3915	0.007	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CNO){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.4990	0.340	4	107.4990	0.115	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[6]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[6]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.0930	0.000	1	107.0930	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	108.3540	0.000	1	108.3540	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	108.1075	0.118	2	108.1075	0.014	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.5030	0.000	1	108.1926	0.627	5	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	108.1100	0.000	1	108.1926	0.627	5	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	109.3780	0.000	1	108.1926	0.627	5	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.4860	0.042	2	108.1926	0.627	5	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	108.2110	0.000	1	108.2110	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	109.1485	0.237	2	109.1485	0.056	2	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	108.2758	0.172	4	108.2758	0.030	4	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	108.0800	0.000	1	108.0800	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<4>}	107.6690	0.000	1	107.6690	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.6940	0.000	1	108.0720	0.356	23	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.3116	0.594	5	108.0720	0.356	23	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.9589	0.722	9	108.0720	0.356	23	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	109.0410	0.000	1	108.0720	0.356	23	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.8190	0.112	7	108.0720	0.356	23	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.6750	0.000	1	107.6750	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.6903	0.091	3	107.6903	0.008	3	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COO){1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|S<4>}	108.6310	0.000	1	108.6310	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COS)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(COS){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<4>}	107.0160	0.000	1	107.0160	0.000	1	107.2060	0.740	211	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.2185	0.435	2	107.2185	0.189	2	107.2185	0.189	2	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	110.0390	0.000	1	109.8900	0.033	3	109.8900	0.033	3	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	109.8155	0.182	2	109.8900	0.033	3	109.8900	0.033	3	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.4288	0.112	5	109.4063	0.094	19	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.5200	0.377	8	109.4063	0.094	19	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.1060	0.000	1	109.4063	0.094	19	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.2620	0.292	5	109.4063	0.094	19	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.8722	0.540	5	109.8722	0.292	5	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C[6]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.8840	0.000	1	108.8840	0.000	1	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,4|C<3>}	109.7500	0.160	2	109.7500	0.026	2	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	108.6715	0.301	2	108.6715	0.090	2	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.0510	0.324	2	109.0510	0.105	2	109.4165	0.200	31	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){5|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.0900	0.000	1	109.3050	0.092	2	109.3050	0.092	2	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]2H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.5200	0.000	1	109.3050	0.092	2	109.3050	0.092	2	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	109.2730	0.000	1	108.5563	0.677	3	108.5563	0.677	3	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,4|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.7380	0.000	1	108.5563	0.677	3	108.5563	0.677	3	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	107.6580	0.000	1	108.5563	0.677	3	108.5563	0.677	3	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|P<4>,4|C<3>}	109.1920	0.000	1	109.1920	0.000	1	109.1920	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<4>,4|C<3>}	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NCS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|C<4>,1|H<1>,2|C<3>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(NHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(NHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,1|S<4>,2|C<3>}	109.5245	0.795	2	109.5245	0.633	2	109.5245	0.633	2	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NOO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NOO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(H){1|C<3>,1|O<2>,2|C<4>}	111.1265	0.071	2	111.1265	0.005	2	111.1265	0.005	2	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	111.6795	0.009	2	111.6795	0.000	2	111.6795	0.000	2	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:P-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	108.8240	0.214	6	108.8240	0.046	6	108.8240	0.046	6	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:S-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	108.1200	0.000	1	108.1200	0.000	1	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	108.0640	0.000	1	108.0640	0.000	1	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|N<3>}	107.2600	0.000	1	107.2600	0.000	1	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	107.7860	0.000	1	107.4245	0.261	2	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	107.0630	0.000	1	107.4245	0.261	2	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.7370	0.000	1	106.7370	0.000	1	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.0170	0.000	1	107.0170	0.000	1	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	107.4035	0.158	2	107.4035	0.025	2	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	107.2530	0.409	4	107.1870	0.100	7	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|O<2>}	107.0990	0.174	3	107.1870	0.100	7	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	107.9325	0.290	4	107.9175	0.063	6	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	107.8875	0.245	2	107.9175	0.063	6	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|C<4>}	107.2553	0.563	20	107.2553	0.317	20	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H){1|C<3>,1|O<2>,2|C<4>}	107.6657	0.890	10	107.6657	0.792	10	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(H){1|C<3>,1|O<2>,2|C<4>}	108.5350	0.355	2	108.5350	0.126	2	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	107.1980	0.257	11	107.1980	0.066	11	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	107.4497	0.224	4	107.4497	0.050	4	107.4272	0.337	69	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	107.0982	0.180	5	107.0982	0.033	5	107.5165	0.539	37	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	108.1053	0.777	3	108.0857	0.474	17	107.5165	0.539	37	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	108.1959	0.689	12	108.0857	0.474	17	107.5165	0.539	37	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	107.3950	0.214	2	108.0857	0.474	17	107.5165	0.539	37	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){2|C<3>,2|C<4>,2|N<2>}	107.0940	0.227	7	107.0940	0.052	7	107.5165	0.539	37	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.2370	0.275	4	107.2370	0.076	4	107.5165	0.539	37	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.6395	0.219	4	106.6395	0.048	4	107.5165	0.539	37	107.7134	1.186	515	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(CCO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(OH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(CCO){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C)2(OH){1|C<3>,1|C<4>}	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|C<4>}	104.1300	0.000	1	104.1300	0.000	1	104.1300	0.000	1	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	106.9070	0.000	1	106.9070	0.000	1	106.6153	0.093	4	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	106.5180	0.288	3	106.5180	0.083	3	106.6153	0.093	4	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO){3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	105.2920	0.000	1	105.2920	0.000	1	105.3885	0.019	2	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])2(SC[6a]OO){5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	105.4850	0.000	1	105.4850	0.000	1	105.3885	0.019	2	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC[6a]HS){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	108.2690	0.000	1	108.2690	0.000	1	107.7715	0.495	2	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CN[5a]HH){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	107.2740	0.000	1	107.2740	0.000	1	107.7715	0.495	2	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(SCOO)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(SCOO){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|C<3>,3|H<1>}	105.2930	0.000	1	105.2930	0.000	1	105.2930	0.000	1	106.2004	1.289	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|Cl<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC){1|C<4>,1|H<1>,2|C<3>}	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2O){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC){1|C<4>,1|H<1>,4|C<3>}	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,1|P<4>,4|C<3>}	108.4240	0.000	1	108.4240	0.000	1	108.4240	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]CH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO){1|C<4>,1|H<1>,2|C<3>}	110.3220	0.000	1	110.3220	0.000	1	110.5060	0.068	2	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO){1|C<4>,1|H<1>,2|C<3>}	110.6900	0.000	1	110.6900	0.000	1	110.5060	0.068	2	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	109.5730	0.000	1	109.5730	0.000	1	109.2962	0.094	6	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	109.4700	0.000	1	109.4700	0.000	1	109.2962	0.094	6	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|C<4>,1|H<1>,4|C<3>}	109.4265	0.152	2	109.4265	0.023	2	109.2962	0.094	6	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	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>}	109.1010	0.000	1	109.1010	0.000	1	109.2962	0.094	6	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	108.7800	0.000	1	108.7800	0.000	1	109.2962	0.094	6	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	107.3880	0.006	2	107.3880	0.000	2	107.7595	0.205	4	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	108.1310	0.250	2	108.1310	0.063	2	107.7595	0.205	4	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	108.4570	0.000	1	108.4570	0.000	1	108.4705	0.000	2	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]C[6a]H){1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	108.4840	0.000	1	108.4840	0.000	1	108.4705	0.000	2	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){6|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	106.8410	0.000	1	106.8410	0.000	1	106.7147	0.099	4	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	106.8650	0.000	1	106.8865	0.001	2	106.7147	0.099	4	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCCH){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	106.9080	0.000	1	106.8865	0.001	2	106.7147	0.099	4	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CF3){4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	106.2450	0.000	1	106.2450	0.000	1	106.7147	0.099	4	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	106.2570	0.000	1	106.2570	0.000	1	106.2570	0.000	1	108.2295	1.811	26	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH)	C[5a](C[5]C[5,6]N[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	109.3810	0.000	1	109.3810	0.000	1	109.4820	0.008	3	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|C<4>,1|H<1>,4|C<3>}	109.5325	0.018	2	109.5325	0.000	2	109.4820	0.008	3	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	108.4380	0.983	2	108.4380	0.966	2	108.4380	0.966	2	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	106.7410	0.000	1	106.7410	0.000	1	106.7410	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	109.3060	0.000	1	109.3060	0.000	1	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.4275	0.084	2	109.4275	0.007	2	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.0620	0.000	1	109.0620	0.000	1	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.9440	0.000	1	108.9440	0.000	1	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.7610	0.000	1	109.7610	0.000	1	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.0850	0.000	1	109.0850	0.000	1	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.8710	0.000	1	108.8710	0.000	1	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.6010	0.000	1	109.6010	0.000	1	109.2761	0.094	9	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.9400	0.000	2	108.9400	0.000	2	109.1397	0.232	4	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.8210	0.000	1	108.8210	0.000	1	109.1397	0.232	4	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[3]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[3]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.8580	0.000	1	109.8580	0.000	1	109.1397	0.232	4	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<4>}	107.9900	0.000	1	107.9900	0.000	1	108.7465	1.145	2	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CNO){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CHHO){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(CC3){1|C<3>,1|C<4>}	109.5030	0.000	1	109.5030	0.000	1	108.7465	1.145	2	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]Si)(N[5a]C[5a]S)(COO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SiC3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SNOO)	C[5a](C[5a]C[5a]Si)(N[5a]C[5a]S)(COO){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SiC3){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SNOO){1|Si<4>,1|C<2>}	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	109.1790	0.000	1	109.1790	0.000	1	109.6666	0.222	16	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCFF){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	108.2870	0.000	1	108.2870	0.000	1	109.6666	0.222	16	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	109.5110	0.000	1	109.5110	0.000	1	109.6666	0.222	16	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.9060	0.000	1	109.9060	0.000	1	109.6666	0.222	16	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	109.8377	0.278	11	109.8377	0.077	11	109.6666	0.222	16	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CHHO){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.5680	0.000	1	109.5680	0.000	1	109.6666	0.222	16	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHO){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	108.7200	0.520	2	108.7200	0.271	2	108.7200	0.271	2	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C){1|C<4>,1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH){1|C<4>,1|H<1>,4|C<3>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(N[6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	111.6440	0.000	1	111.6440	0.000	1	111.6440	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>}	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	109.3963	0.630	48	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8385	0.127	2	108.6837	0.080	3	109.7450	0.445	23	109.6794	0.462	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.3740	0.000	1	108.6837	0.080	3	109.7450	0.445	23	109.6794	0.462	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[3]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.4880	0.000	1	108.4880	0.000	1	109.7450	0.445	23	109.6794	0.462	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(COO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.9787	0.449	19	109.9787	0.202	19	109.7450	0.445	23	109.6794	0.462	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|O<1>,3|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	108.9255	0.267	2	108.9255	0.071	2	108.9255	0.071	2	109.6794	0.462	25	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[3]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C)(CNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C)(CNO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[3]C[3]N[3]H)(C[5a]N[5a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	108.7400	0.000	1	108.7400	0.000	1	108.7400	0.000	1	107.6125	2.543	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6]C[5])(N[5a]C[5a,6]N)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6]C[5])(N[5a]C[5a,6]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a]){2|C<4>,2|N<3>,2|O<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(NCH){2|C<4>,2|H<1>,3|C<3>}	106.4850	0.000	1	106.4850	0.000	1	106.4850	0.000	1	107.6125	2.543	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	109.0817	0.110	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CCO){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	109.0817	0.110	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,2|C<4>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.0817	0.110	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]H)(C[5a]N[5a]N){1|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	107.6650	0.480	4	107.6650	0.230	4	107.6650	0.230	4	107.2785	0.582	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	106.0420	0.000	1	106.0420	0.000	1	106.5055	0.430	2	107.2785	0.582	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	4:3:3:	3:3:2:	N[5a]-3:C[5a]-3:N-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NHH)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NHH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){4|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	106.9690	0.000	1	106.9690	0.000	1	106.5055	0.430	2	107.2785	0.582	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	4:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	107.9775	0.064	2	107.9775	0.004	2	107.9775	0.004	2	107.9775	0.004	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:3:	4:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){4|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,3|C<3>}	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	107.5690	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	103.4820	0.000	1	103.4820	0.000	1	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	103.6680	0.000	1	103.6680	0.000	1	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	103.9825	0.135	2	103.9825	0.018	2	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	103.5720	0.407	2	103.5720	0.166	2	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH){1|H<1>}	104.6655	0.043	2	104.6655	0.002	2	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	104.3483	0.454	3	104.3483	0.206	3	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	103.9040	0.000	1	103.9040	0.000	1	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	103.8580	0.000	1	103.8580	0.000	1	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	103.4830	0.000	1	103.4830	0.000	1	103.9914	0.222	14	103.9914	0.222	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CCHH){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	105.1907	0.379	3	105.1907	0.143	3	105.0010	0.144	5	105.0010	0.144	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[6a]2H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CC[6a]2H){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	104.6130	0.000	1	104.6130	0.000	1	105.0010	0.144	5	105.0010	0.144	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	104.8200	0.000	1	104.8200	0.000	1	105.0010	0.144	5	105.0010	0.144	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	103.7600	0.000	1	103.7600	0.000	1	103.9787	0.126	6	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	104.3460	0.000	1	104.3460	0.000	1	103.9787	0.126	6	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.4190	0.000	1	104.4190	0.000	1	103.9787	0.126	6	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	103.7823	0.263	3	103.7823	0.069	3	103.9787	0.126	6	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3){2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	106.4940	0.000	1	106.4940	0.000	1	106.4210	0.011	2	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH)	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH){2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	106.3480	0.000	1	106.3480	0.000	1	106.4210	0.011	2	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:Si-4:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3)	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3){2|C<3>}	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	102.9090	0.000	1	103.5170	0.739	2	103.5170	0.739	2	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:Si-4:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3)	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3){2|C<3>}	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O){1|C<3>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	104.1250	0.000	1	103.5170	0.739	2	103.5170	0.739	2	104.3748	1.352	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HO){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	104.7650	0.000	1	104.7650	0.000	1	105.0240	0.051	3	105.0240	0.051	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]HS){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	105.1840	0.000	1	105.1840	0.000	1	105.0240	0.051	3	105.0240	0.051	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(CHHN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	105.1230	0.000	1	105.1230	0.000	1	105.0240	0.051	3	105.0240	0.051	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(CHHO){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(Cl){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|Cl<1>}	103.8800	0.000	1	103.8800	0.000	1	103.8800	0.000	1	104.8745	0.330	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CCHH){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	104.8370	0.023	3	104.8370	0.001	3	105.0734	0.116	5	104.8745	0.330	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CHHO){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	105.2780	0.000	1	105.2780	0.000	1	105.0734	0.116	5	104.8745	0.330	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CN[5a]HH){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	105.5780	0.000	1	105.5780	0.000	1	105.0734	0.116	5	104.8745	0.330	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:O-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]O)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]O)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC){1|C<3>}	101.4880	0.000	1	101.4880	0.000	1	101.4880	0.000	1	101.4880	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHO){1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	103.5890	0.000	1	103.5890	0.000	1	102.8623	0.203	19	102.8623	0.203	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	102.8268	0.219	5	102.8268	0.048	5	102.8623	0.203	19	102.8623	0.203	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	102.8200	0.492	13	102.8200	0.242	13	102.8623	0.203	19	102.8623	0.203	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH){1|C<3>}	104.7430	0.000	1	104.7430	0.000	1	104.7430	0.000	1	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.6500	0.000	1	104.6500	0.000	1	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.0880	0.000	1	104.0880	0.000	1	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	103.7440	0.000	1	103.7440	0.000	1	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	103.9237	0.038	3	103.9237	0.001	3	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNN){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>}	103.4940	0.000	1	103.4940	0.000	1	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	103.4230	0.000	1	103.4230	0.000	1	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	103.2560	0.000	1	103.2560	0.000	1	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	103.1700	0.000	1	103.1700	0.000	1	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	103.6753	0.466	4	103.6753	0.217	4	103.7355	0.188	14	103.8027	0.242	15	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CC3){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	103.8480	0.000	1	103.8480	0.000	1	104.6476	0.173	7	104.4433	0.482	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCHH){1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	104.8163	0.314	3	104.8163	0.099	3	104.6476	0.173	7	104.4433	0.482	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[5a]H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	104.8580	0.000	1	104.8580	0.000	1	104.6476	0.173	7	104.4433	0.482	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	104.6890	0.256	2	104.6890	0.066	2	104.6476	0.173	7	104.4433	0.482	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|N<3>}	103.0130	0.000	1	103.0130	0.000	1	103.0130	0.000	1	104.4433	0.482	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	103.6450	0.187	2	103.6450	0.035	2	103.6450	0.035	2	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCH){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.0390	0.000	1	104.0390	0.000	1	103.6429	0.148	31	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCN){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.0400	0.000	1	104.0400	0.000	1	103.6429	0.148	31	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.7833	0.386	10	103.7833	0.149	10	103.6429	0.148	31	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5a]O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.0700	0.000	1	104.0700	0.000	1	103.6429	0.148	31	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.7280	0.000	2	103.7280	0.000	2	103.6429	0.148	31	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.5012	0.429	10	103.5012	0.184	10	103.6429	0.148	31	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.4133	0.209	6	103.4133	0.044	6	103.6429	0.148	31	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCO){1|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,4|C<3>}	103.3850	0.000	1	103.3850	0.000	1	103.3850	0.000	1	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:C[3]-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H)	C[5a](C[5a]N[5a]C[3])(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]C[3])(N[5a]N[5a])(CNO){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,3|H<1>}	104.0100	0.000	1	104.0100	0.000	1	104.0100	0.000	1	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2){1|Cu<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.5810	0.000	1	103.5810	0.000	1	103.5810	0.000	1	103.6443	0.134	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	105.8750	0.000	1	105.8750	0.000	1	105.8785	0.000	2	105.8785	0.000	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(COO){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.8820	0.000	1	105.8820	0.000	1	105.8785	0.000	2	105.8785	0.000	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]HH){1|C<3>}	105.1103	0.208	3	105.1103	0.043	3	105.0196	0.083	9	105.0859	0.118	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>}	104.9742	0.330	6	104.9742	0.109	6	105.0196	0.083	9	105.0859	0.118	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NCC)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|C<4>}	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NCC){2|C<4>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CH3){1|N<3>}	105.6830	0.000	1	105.6830	0.000	1	105.6830	0.000	1	105.0859	0.118	10	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:3:	4:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(COO){1|C<4>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	102.2050	0.000	1	102.2050	0.000	1	102.2050	0.000	1	102.2050	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:Si-4:	C[5a]-3:N[5a]-2:Si-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]Si)(N[5a]N[5a]H)(SiC3)	C[5a](C[5a]N[5a]Si)(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]Si)(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]Si)(N[5a]N[5a]H)(SiC3)	C[5a](C[5a]N[5a]Si)(N[5a]N[5a])(SiC3){1|H<1>}	N[5a](C[5a]C[5a]Si)(N[5a]N[5a])(H){1|Si<4>}	103.7270	0.000	1	103.7270	0.000	1	103.7270	0.000	1	103.7270	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C){1|C<4>}	104.0680	0.000	1	104.0680	0.000	1	104.0680	0.000	1	103.6532	0.266	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>}	103.5495	0.532	4	103.5495	0.283	4	103.5495	0.283	4	103.6532	0.266	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	103.8330	0.000	1	103.8330	0.000	1	104.0563	0.122	6	103.8734	0.336	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHN){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	103.6890	0.000	1	103.6890	0.000	1	104.0563	0.122	6	103.8734	0.336	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	104.0790	0.000	1	104.0790	0.000	1	104.0563	0.122	6	103.8734	0.336	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	104.4705	0.111	2	104.4705	0.012	2	104.0563	0.122	6	103.8734	0.336	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	103.7960	0.000	1	103.7960	0.000	1	104.0563	0.122	6	103.8734	0.336	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	102.7760	0.000	1	102.7760	0.000	1	102.7760	0.000	1	103.8734	0.336	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CCCH){1|P<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCCH){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(H){1|C<4>}	105.3960	0.000	1	105.3960	0.000	1	105.2733	0.331	7	104.7438	2.527	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]2H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	104.8553	0.592	3	104.8553	0.351	3	105.2733	0.331	7	104.7438	2.527	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CHHN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>}	105.6503	0.400	3	105.6503	0.160	3	105.2733	0.331	7	104.7438	2.527	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]O)(CH3){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,2|C<3>}	101.0370	0.000	1	101.0370	0.000	1	101.0370	0.000	1	104.7438	2.527	8	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	103.6730	0.000	1	103.6730	0.000	1	103.6730	0.000	1	104.0692	0.640	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	103.1340	0.000	1	103.1340	0.000	1	103.9275	1.259	2	104.0692	0.640	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	104.7210	0.000	1	104.7210	0.000	1	103.9275	1.259	2	104.0692	0.640	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:Si-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SiC3){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|C<3>,2|H<1>}	104.7490	0.000	1	104.7490	0.000	1	104.7490	0.000	1	104.0692	0.640	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CNN){1|C<4>}	105.2842	0.234	5	105.2842	0.055	5	105.2840	0.050	7	105.3003	0.297	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN){1|C<4>}	105.2835	0.282	2	105.2835	0.080	2	105.2840	0.050	7	105.3003	0.297	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|P<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	104.5630	0.000	1	104.5630	0.000	1	105.4735	0.150	11	105.3003	0.297	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	105.5646	0.255	10	105.5646	0.065	10	105.4735	0.150	11	105.3003	0.297	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]2H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	103.5080	0.000	1	103.5080	0.000	1	103.5080	0.000	1	105.3003	0.297	19	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CH3){2|C<4>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	105.4680	0.000	1	105.4680	0.000	1	105.4680	0.000	1	105.4200	0.065	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|P<4>,2|C<3>}	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	105.4200	0.065	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O){1|C<3>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH){1|C<4>,2|C<3>}	104.9830	0.000	1	104.9830	0.000	1	104.9830	0.000	1	105.4200	0.065	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Cu)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Cu)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Cu){1|H<1>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Cu){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	105.2145	0.016	2	105.2145	0.000	2	105.4530	0.057	6	105.4200	0.065	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Ni)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Ni)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Ni){1|H<1>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Ni){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	105.5735	0.098	2	105.5735	0.010	2	105.4530	0.057	6	105.4200	0.065	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:2:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Pd)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(PC[6a]2Pd){1|H<1>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(PC[6a]2Pd){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	105.5710	0.322	2	105.5710	0.104	2	105.4530	0.057	6	105.4200	0.065	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(Br){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Br<1>,1|C<4>}	104.2160	0.000	1	104.2160	0.000	1	104.2160	0.000	1	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(Cl)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(Cl){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|C<4>}	104.6520	0.000	1	104.6520	0.000	1	104.6520	0.000	1	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	105.6450	0.615	2	105.6450	0.378	2	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	105.1710	0.000	1	105.1710	0.000	1	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.6380	0.292	8	105.6380	0.085	8	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8510	0.000	1	105.8510	0.000	1	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHO)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHO){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1040	0.000	1	106.1040	0.000	1	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.1600	0.000	1	106.1600	0.000	1	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	106.3320	0.000	1	106.0330	0.137	7	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9832	0.379	6	106.0330	0.137	7	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	106.6180	0.163	2	106.6180	0.026	2	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	106.3270	0.172	4	106.3270	0.029	4	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9102	0.217	5	106.0863	2.105	18	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1541	1.717	13	106.0863	2.105	18	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.5017	0.331	3	106.5017	0.110	3	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	106.2300	0.059	2	106.2300	0.004	2	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3390	0.000	1	106.3390	0.000	1	106.0454	0.844	51	105.9845	0.909	53	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(Br){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|Br<1>,1|C<4>}	104.5165	0.187	2	104.5165	0.035	2	104.5165	0.035	2	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2){1|C<4>,1|H<1>}	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	104.6778	0.215	4	104.6778	0.046	4	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|H<1>,1|N<3>}	106.9390	0.000	1	106.9390	0.000	1	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	106.0500	0.000	1	106.0500	0.000	1	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	105.9345	0.195	4	105.9345	0.038	4	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	105.5130	0.105	2	105.5130	0.011	2	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	105.2379	0.462	7	105.2379	0.214	7	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	105.6107	0.295	3	105.6107	0.087	3	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	105.2241	0.261	7	105.2241	0.068	7	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS){1|C<4>,1|H<1>}	105.3340	0.542	2	105.3340	0.293	2	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C){1|C<4>,1|H<1>}	105.9595	0.069	2	105.9595	0.005	2	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){1|C<4>,1|H<1>}	105.4650	0.000	1	105.4650	0.000	1	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	105.3927	0.190	3	105.3927	0.036	3	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	105.5777	0.495	4	105.5777	0.245	4	105.4408	0.263	41	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP){1|C<4>,1|H<1>}	106.1690	0.173	2	106.1690	0.030	2	106.1690	0.030	2	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	104.9580	0.011	2	105.2524	0.106	5	105.2524	0.106	5	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	105.3070	0.126	2	105.2524	0.106	5	105.2524	0.106	5	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	105.7320	0.000	1	105.2524	0.106	5	105.2524	0.106	5	105.4254	0.285	51	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3)	C[5a](C[5a]N[5a]C)2(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3){1|C<4>}	C[5a](C[5a]N[5a]C)2(Br){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	107.8293	0.160	3	107.8293	0.026	3	107.3180	1.063	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(Br){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	105.7840	0.000	1	105.7840	0.000	1	107.3180	1.063	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3)	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3){1|B<3>}	C[5a](C[5a]N[5a]B[5])(C[5a]N[5a]C)(Br){1|C<4>,2|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|B<3>}	105.6550	0.000	1	105.6550	0.000	1	105.4033	0.272	6	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(Br){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	105.6627	0.517	3	105.6627	0.268	3	105.4033	0.272	6	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(Br){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	104.7630	0.000	1	104.7630	0.000	1	105.4033	0.272	6	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS)	C[5a](C[5a]N[5a]C)2(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS){1|C<4>}	C[5a](C[5a]N[5a]C)2(Br){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	105.0140	0.000	1	105.0140	0.000	1	105.4033	0.272	6	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(Cl)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(Cl){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|Cl<1>,1|C<4>}	106.1280	0.000	1	106.1280	0.000	1	106.1280	0.000	1	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS)	C[5a](C[5a]N[5a]C)2(Cl)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS){1|C<4>}	C[5a](C[5a]N[5a]C)2(Cl){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	105.2340	0.000	1	105.2340	0.000	1	105.2340	0.000	1	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(F)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO){1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(F){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|F<1>,1|H<1>}	104.1190	0.000	1	104.1190	0.000	1	104.1190	0.000	1	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	107.2030	0.000	1	107.2030	0.000	1	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	C[5a](C[5a]C[3x6]N[5a])(C[5a]N[5a]C)(H){1|B<4>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	107.4480	0.150	3	107.4480	0.023	3	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	107.4951	0.365	7	107.4951	0.133	7	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	107.5930	0.000	1	107.5930	0.000	1	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	109.1050	0.281	2	109.1050	0.079	2	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	109.5480	0.000	1	109.5480	0.000	1	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	109.8210	0.000	1	109.8210	0.000	1	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>,1|H<1>}	107.4081	0.432	7	107.4081	0.186	7	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|B<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	107.8106	0.627	12	107.8106	0.393	12	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	107.6344	0.641	16	107.6344	0.411	16	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir){1|C<4>,1|H<1>}	107.3815	0.555	2	107.3815	0.308	2	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh){1|C<4>,1|H<1>}	105.3930	0.000	1	105.3930	0.000	1	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	107.1843	0.462	3	107.1843	0.214	3	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	107.4608	0.471	6	107.3703	0.355	12	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	107.2798	0.735	6	107.3703	0.355	12	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	107.7438	0.308	5	107.7438	0.095	5	107.6188	0.522	74	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	105.4130	0.000	1	105.4130	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH){1|C<4>,1|H<1>}	105.3500	0.000	2	105.3500	0.000	2	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	105.1145	0.882	2	105.1145	0.778	2	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	105.0618	0.173	4	105.0618	0.030	4	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<3>,1|H<1>}	106.1390	0.025	2	106.1390	0.001	2	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	106.3820	0.000	1	106.3820	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	106.5260	0.150	2	106.5260	0.022	2	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.4850	0.071	2	106.4850	0.005	2	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	106.1797	0.335	4	106.1797	0.112	4	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	105.3400	0.264	3	105.3400	0.070	3	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	106.7160	0.000	1	106.7160	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	106.1147	0.279	15	106.1147	0.078	15	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	106.1930	0.000	1	106.1930	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	105.8536	0.222	5	105.8536	0.049	5	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){1|C<4>,1|H<1>}	105.8340	0.000	1	105.8340	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	106.2197	0.254	3	106.2197	0.065	3	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	105.8978	0.280	12	105.8978	0.079	12	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.5080	0.120	2	106.5478	0.007	4	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	106.5875	0.023	2	106.5478	0.007	4	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	106.1525	0.151	2	106.1525	0.023	2	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	106.3640	0.000	1	106.3640	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	105.1860	0.309	3	105.1860	0.096	3	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	105.2617	0.503	6	105.2617	0.253	6	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	105.5603	0.214	3	105.5603	0.046	3	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	105.5750	0.000	1	105.5750	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	105.7347	0.315	20	105.7347	0.099	20	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	105.7860	0.378	3	105.7860	0.143	3	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH){1|C<4>,1|H<1>}	105.9480	0.000	1	105.9480	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	106.5020	0.000	1	106.5020	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.9690	0.000	1	105.9690	0.000	1	105.8494	0.229	107	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN){1|C<4>,1|H<1>}	105.2180	0.000	1	105.2180	0.000	1	105.3687	0.115	3	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	105.4440	0.443	2	105.4440	0.196	2	105.3687	0.115	3	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CCHH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	105.1980	0.000	1	105.1980	0.000	1	104.9595	0.666	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|S<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<2>}	105.7100	0.000	1	105.7100	0.000	1	104.9595	0.666	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|S<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO){1|C<4>,1|H<1>}	103.7980	0.000	1	103.7980	0.000	1	104.9595	0.666	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|S<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<4>,1|H<1>}	105.1320	0.000	1	105.1320	0.000	1	104.9595	0.666	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H){1|C<3>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH){1|C<3>,2|C<4>,2|H<1>}	106.1910	0.000	1	106.1910	0.000	1	106.1910	0.000	1	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3){2|C<4>,3|H<1>}	105.5700	0.000	1	105.5700	0.000	1	105.5700	0.000	1	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Ru)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Ru){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H){1|C<4>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	105.6135	0.360	2	105.6135	0.130	2	105.7410	0.070	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H){1|C<4>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	105.8685	0.118	2	105.8685	0.014	2	105.7410	0.070	4	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:Si-4:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|Si<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3){1|C<4>,1|H<1>}	107.2680	0.000	1	107.2680	0.000	1	106.6139	0.129	17	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:Si-4:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|Si<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3){1|C<4>,1|H<1>}	106.5730	0.328	16	106.5730	0.108	16	106.6139	0.129	17	106.4730	1.091	224	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC[6a]CH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC[6a]CH){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	109.5020	0.000	1	109.5020	0.000	1	108.7439	0.199	9	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.9847	0.277	3	108.9847	0.077	3	108.7439	0.199	9	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]2C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.0960	0.000	1	108.0960	0.000	1	108.7439	0.199	9	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.4200	0.000	1	108.4200	0.000	1	108.7439	0.199	9	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.7330	0.000	1	108.7330	0.000	1	108.7439	0.199	9	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	108.3480	0.000	1	108.3480	0.000	1	108.7439	0.199	9	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.6420	0.000	1	108.6420	0.000	1	108.7439	0.199	9	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	106.5240	0.000	1	106.5240	0.000	1	106.4057	0.421	8	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[5a]2C){2|Br<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){2|Br<1>}	106.2165	0.580	6	106.2165	0.336	6	106.4057	0.421	8	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CF3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	107.4230	0.000	1	107.4230	0.000	1	106.4057	0.421	8	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CC3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(Br)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CC3){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(Br){2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|O<1>}	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|F<1>,1|H<1>}	105.5240	0.069	2	105.5240	0.005	2	105.5240	0.005	2	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.7300	0.000	1	106.7300	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.4512	0.528	6	106.4512	0.279	6	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3){1|C<4>,1|P<3>}	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<3>}	106.9780	0.000	1	106.3760	0.347	3	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC3){1|C<4>,1|P<4>}	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<4>}	106.0750	0.389	2	106.3760	0.347	3	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.8450	1.625	2	106.8450	2.640	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCCO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.2815	0.047	2	107.2815	0.002	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	109.4165	1.037	4	109.4165	1.076	4	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	107.2190	0.000	1	107.2190	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.2910	0.000	1	107.2910	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.7740	0.000	1	107.1573	0.364	14	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.1098	0.600	13	107.1573	0.364	14	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	106.8186	0.557	7	106.8294	0.267	8	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<4>,3|H<1>}	106.9050	0.000	1	106.8294	0.267	8	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]2C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.9690	0.000	1	105.9690	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.6920	0.438	5	106.6920	0.192	5	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.5457	0.685	4	106.7064	0.330	44	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.6224	0.498	40	106.7064	0.330	44	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.5435	0.255	2	107.5435	0.065	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.3930	0.000	1	106.3930	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5]HN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.8040	0.645	2	106.8040	0.416	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.4674	0.646	16	107.4674	0.417	16	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.4270	0.000	1	107.4270	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.7790	0.000	1	106.7790	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]2H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.7120	0.918	4	106.7120	0.843	4	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	106.2260	0.000	2	106.2260	0.000	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	106.2020	0.000	1	106.2020	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	106.9711	0.499	7	106.9711	0.249	7	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	107.1538	0.391	4	107.1258	0.106	6	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.0700	0.255	2	107.1258	0.106	6	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.0197	0.388	7	107.0197	0.151	7	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	107.4829	0.459	20	107.4829	0.210	20	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.8947	0.841	37	106.6976	0.286	448	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.6799	0.496	411	106.6976	0.286	448	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	106.6930	0.041	2	106.6930	0.002	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	105.9500	0.454	2	105.9500	0.206	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	107.4510	0.000	1	107.4510	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.9877	0.347	3	106.9877	0.120	3	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	108.0460	0.358	2	108.0460	0.128	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5062	0.494	4	106.5062	0.244	4	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.1625	0.377	4	107.1625	0.142	4	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5050	0.000	1	106.6073	0.013	3	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.6585	0.104	2	106.6073	0.013	3	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CS)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]CS){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.1235	0.050	2	107.1235	0.003	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CF3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	108.7075	0.231	2	108.7075	0.053	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.8800	0.000	1	106.8800	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<4>,1|P<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]P)(H){1|C<4>,1|H<1>}	107.7130	0.000	1	107.7130	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	107.3805	0.383	11	107.3805	0.147	11	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.4970	0.000	1	106.4970	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	107.2210	0.000	1	107.0475	0.060	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	106.8740	0.000	1	107.0475	0.060	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	107.2700	0.000	1	107.2700	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.2165	0.110	2	107.2165	0.012	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.7625	0.107	2	106.7625	0.011	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.6530	0.008	2	107.6530	0.000	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	107.5895	0.051	4	107.5895	0.003	4	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	108.5020	1.304	5	108.5020	1.699	5	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.1989	0.470	10	106.9563	0.227	38	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.8697	0.456	28	106.9563	0.227	38	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.8995	0.086	2	106.8995	0.007	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.8220	0.000	2	107.8220	0.000	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHP){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.6816	0.422	13	106.6816	0.178	13	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHS)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CHHS){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.8625	0.354	2	107.8625	0.126	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.3090	1.181	9	107.3090	1.394	9	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	106.8960	0.242	2	106.8960	0.058	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[6]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[6]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.3575	0.670	2	107.3575	0.448	2	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CP[6]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CP[6]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	107.0720	0.000	1	107.0720	0.000	1	106.8468	0.418	738	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	108.5500	0.000	1	108.5500	0.000	1	108.0507	0.625	3	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|H<1>,1|O<1>}	108.4630	0.000	1	108.4630	0.000	1	108.0507	0.625	3	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)2(H){2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	107.1390	0.000	1	107.1390	0.000	1	108.0507	0.625	3	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCCH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCCH){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	108.9160	0.000	1	108.9160	0.000	1	110.0102	0.426	5	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	110.3350	0.096	2	110.3350	0.009	2	110.0102	0.426	5	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	110.2325	0.433	2	110.2325	0.188	2	110.0102	0.426	5	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]H)(CCHH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]H)(CCHH){2|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.4120	0.000	1	107.4120	0.000	1	107.4120	0.000	1	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2C){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2H){1|W<7>,2|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	107.1210	0.000	1	107.1210	0.000	1	107.1775	0.006	2	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]N[6]2H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]N[6]2H){2|H<1>,4|C<4>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|N<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|N<3>,3|H<1>}	107.2340	0.000	1	107.2340	0.000	1	107.1775	0.006	2	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:N-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(NH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(NH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){2|C<3>,2|H<1>}	108.7203	0.485	3	108.7203	0.235	3	108.7203	0.235	3	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|Cl<1>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]P)(H){1|H<1>,2|C<3>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]P)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]P)2(H){2|H<1>}	107.0383	0.165	4	107.0383	0.027	4	107.0196	0.022	5	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(H){2|H<1>}	106.9450	0.000	1	106.9450	0.000	1	107.0196	0.022	5	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:S-4:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(SC[6a]OO)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]S)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(SC[6a]OO){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]S)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S)(H){1|H<1>,1|S<4>,2|C<3>}	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(H){1|C<4>,1|H<1>}	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	106.9079	0.568	782	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCHH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CCHH){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,1|O<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,3|H<1>}	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C-3:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.9175	0.636	4	105.9175	0.405	4	105.9175	0.405	4	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CC3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CC3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>}	105.5495	0.233	2	105.5495	0.054	2	106.0738	0.185	6	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	106.2860	0.000	1	106.2860	0.000	1	106.0738	0.185	6	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|P<3>}	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	106.3527	0.145	3	106.3527	0.021	3	106.0738	0.185	6	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CC)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CC){2|C<3>,2|H<1>}	106.8230	0.017	2	106.8230	0.000	2	106.8230	0.000	2	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Ge-2:	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(GeCl)	C[5a](N[5a]C[5a]Ge)(C[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ge<2>,1|C<4>}	N[5a](C[5a]C[5a]C)2(GeCl){2|H<1>}	108.9455	0.196	2	108.9455	0.038	2	108.9455	0.038	2	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	105.2235	0.220	2	105.2235	0.048	2	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.1867	0.300	3	106.1867	0.090	3	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	106.0430	0.000	1	106.0430	0.000	1	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]B[5,5]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|B<4>,2|C<3>}	C[5a](C[5a]B[5,5]N[5a])(C[5a]N[5a]C)(H){1|C<3>,1|N<4>,2|O<2>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	106.4860	0.000	1	106.4860	0.000	1	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	105.9915	0.343	2	105.9915	0.118	2	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	105.5430	0.000	1	105.4112	0.100	11	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	105.1897	0.103	3	105.4112	0.100	11	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>}	105.4873	0.358	7	105.4112	0.100	11	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	105.9350	0.120	3	105.9350	0.014	3	105.6890	0.206	23	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	105.9370	0.000	1	105.6495	0.165	2	105.6473	0.083	3	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	105.3620	0.000	1	105.6495	0.165	2	105.6473	0.083	3	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|P<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	105.6430	0.000	1	105.6430	0.000	1	105.6473	0.083	3	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	105.6670	0.000	1	105.6670	0.000	1	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	106.5430	0.000	1	106.5430	0.000	1	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	106.0610	0.000	1	106.0610	0.000	1	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	105.4695	0.056	2	105.4695	0.003	2	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.8540	0.000	1	105.5265	0.215	2	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	105.1990	0.000	1	105.5265	0.215	2	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	105.3820	0.000	1	105.2949	0.222	8	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	105.6220	0.000	1	105.2949	0.222	8	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.2258	0.531	6	105.2949	0.222	8	105.5081	0.253	15	105.8881	0.682	56	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2){2|C<3>,2|H<1>}	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	107.8702	0.379	5	107.8702	0.144	5	108.0172	0.245	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	108.7520	0.000	1	108.7520	0.000	1	108.0172	0.245	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<1>,2|C<3>}	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	106.5160	0.000	1	106.5160	0.000	1	106.5257	0.102	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	106.1410	0.000	1	106.1410	0.000	1	106.5257	0.102	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	106.4045	0.275	2	106.4045	0.076	2	106.5257	0.102	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	106.8440	0.229	2	106.8440	0.052	2	106.5257	0.102	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	108.8620	0.000	1	108.8620	0.000	1	108.8960	0.002	2	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	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>}	108.9300	0.000	1	108.9300	0.000	1	108.8960	0.002	2	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:Si-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(SiC3)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Si)(Br)	N[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(SiC3){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]Si)(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)(COO){2|Br<1>}	102.6170	0.000	1	102.6170	0.000	1	102.6170	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]H)(CC[5a]C[6a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H){1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,5a])(C[5]C[5]N[5])(C[5a]C[5a]C){1|H<1>,6|C<3>}	109.1290	0.051	2	109.1290	0.003	2	109.1290	0.003	2	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCCH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	109.4310	0.000	1	109.4310	0.000	1	109.1065	0.272	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	108.6105	0.233	2	108.6105	0.054	2	109.1065	0.272	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	109.9390	0.000	1	109.9390	0.000	1	109.1065	0.272	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CHHO){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	108.9800	0.000	1	108.9800	0.000	1	109.1065	0.272	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN[5a]HH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	109.0680	0.000	1	109.0680	0.000	1	109.1065	0.272	6	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCHH){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	108.9110	0.000	1	108.9110	0.000	1	108.7385	0.025	4	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[5]HH){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	108.8290	0.000	1	108.8290	0.000	1	108.7385	0.025	4	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]CH){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	108.5720	0.000	1	108.5720	0.000	1	108.7385	0.025	4	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CH3){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	108.6420	0.000	1	108.6420	0.000	1	108.7385	0.025	4	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	105.9520	0.000	1	105.9520	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	106.8783	0.187	3	106.8749	0.088	15	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	106.8740	0.325	12	106.8749	0.088	15	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCFF){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	108.2060	0.000	1	108.2060	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>}	107.2560	0.000	1	107.2560	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	106.4700	0.000	1	106.4700	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5]HN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5]HN){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,2|N<2>}	107.4920	0.000	1	107.4920	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[5a]2H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	107.8780	0.000	1	107.8780	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	107.2330	0.000	1	107.2330	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CF3){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	108.7630	0.000	1	108.7630	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	107.6380	0.000	1	107.6380	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	107.0790	0.236	3	107.0609	0.454	8	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	106.6660	0.953	3	107.0609	0.454	8	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	107.6260	0.373	2	107.0609	0.454	8	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	106.8980	0.090	4	106.8234	0.034	5	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	106.5250	0.000	1	106.8234	0.034	5	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	107.1880	0.000	1	107.1880	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	107.7310	0.604	2	107.7310	0.365	2	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CHHO){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	107.7450	0.000	1	107.7450	0.000	1	107.0978	0.352	41	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si[4]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Si<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2){1|C<3>,2|C<4>,2|H<1>}	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C)2{1|N<2>,2|C<3>,2|H<1>}	106.9100	2.044	2	106.9100	4.176	2	106.9690	0.736	7	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	106.9048	0.159	4	106.9048	0.025	4	106.9690	0.736	7	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	107.3440	0.000	1	107.3440	0.000	1	106.9690	0.736	7	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[5]C[5]2H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5]){1|C<4>,4|H<1>,5|C<3>}	108.9150	0.000	1	108.9150	0.000	1	108.9150	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2){4|C<3>,4|H<1>}	108.1700	0.000	1	108.1700	0.000	1	108.1700	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Ga-3:	C[5a](N[5a]C[5a]Ga)(C[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]P)2(GaCl2)	C[5a](N[5a]C[5a]Ga)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Ga<3>,1|P<4>}	N[5a](C[5a]C[5a]P)2(GaCl2){2|H<1>}	109.5535	0.023	2	109.5535	0.001	2	109.5535	0.001	2	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C){4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl){4|C<3>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,2|C<4>,3|C<3>}	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	107.5093	1.355	84	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]S)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]S)(CCHH){1|C<3>,1|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>,2|C<4>}	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CBrHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	107.2310	0.000	1	107.2310	0.000	1	106.9616	0.073	8	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	106.8290	0.297	3	106.8290	0.088	3	106.9616	0.073	8	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	106.9490	0.423	2	106.9490	0.179	2	106.9616	0.073	8	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	106.9470	0.000	1	106.9470	0.000	1	106.9616	0.073	8	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CN[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CN[5]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	107.1300	0.000	1	107.1300	0.000	1	106.9616	0.073	8	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	108.2920	0.000	1	108.2920	0.000	1	109.3266	0.705	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	109.4270	0.000	1	109.4270	0.000	1	109.3266	0.705	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CCHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	110.1700	0.000	1	110.1700	0.000	1	109.3266	0.705	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	108.6570	0.000	1	108.6570	0.000	1	109.3266	0.705	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHNO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CHNO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	110.0870	0.000	1	110.0870	0.000	1	109.3266	0.705	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.3620	0.000	1	108.3620	0.000	1	108.1017	0.099	6	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]2O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	107.5710	0.000	1	107.5710	0.000	1	108.1017	0.099	6	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.0695	0.255	2	108.0695	0.065	2	108.1017	0.099	6	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]HN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.1640	0.000	1	108.1640	0.000	1	108.1017	0.099	6	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.3740	0.000	1	108.3740	0.000	1	108.1017	0.099	6	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	106.9010	0.000	1	106.9010	0.000	1	106.9010	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CCHH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	105.0080	0.000	1	105.0080	0.000	1	105.4250	0.169	3	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]C)2(SC[6a]OO)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(CH3){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(Br){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)2(SC[6a]OO){2|Br<1>}	105.6335	0.279	2	105.6335	0.078	2	105.4250	0.169	3	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC3){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	106.9690	0.000	1	106.9690	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	106.7770	0.000	1	106.7770	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	107.4250	0.000	1	107.4250	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	108.6790	0.000	1	108.6790	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CCHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	107.7480	0.000	1	107.7480	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	107.1433	0.289	3	107.1433	0.083	3	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	106.8520	0.000	1	106.8520	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	107.0810	0.000	1	107.0810	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C)2(CCHH){2|H<1>}	107.1043	0.600	3	107.1043	0.360	3	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	106.9510	0.000	1	106.9510	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CH3){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){1|H<1>,1|N<2>}	108.1010	0.000	1	108.1010	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	107.3190	0.000	1	107.3190	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	107.3720	0.000	1	107.3720	0.000	1	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CHHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	107.1106	0.484	5	107.1106	0.235	5	107.2532	0.270	22	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CCHH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co){2|H<1>}	106.9080	0.000	1	106.9080	0.000	1	107.0909	0.974	15	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]CoC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]CoC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co){2|H<1>}	107.1180	0.421	4	107.1180	0.177	4	107.0909	0.974	15	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]CoH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]CoH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co){2|H<1>}	107.4150	0.221	2	107.4150	0.049	2	107.0909	0.974	15	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]FeH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Fe)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]FeH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Fe){2|H<1>}	107.6950	0.378	2	107.6950	0.143	2	107.0909	0.974	15	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co){2|H<1>}	107.8560	0.062	2	107.8560	0.004	2	107.0909	0.974	15	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni){2|H<1>}	107.6725	0.190	2	107.6725	0.036	2	107.0909	0.974	15	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]RuH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(CC[5a]RuH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC){2|H<1>}	104.8530	0.192	2	104.8530	0.037	2	107.0909	0.974	15	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCHH)	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CCHH){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	106.7620	0.000	1	106.7620	0.000	1	106.3094	0.203	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC[6a]CH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	105.8405	0.202	2	105.8405	0.041	2	106.3094	0.203	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	106.4880	0.000	1	106.4880	0.000	1	106.3094	0.203	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHS)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(SCOO)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CHHS){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)2(SCOO){1|C<3>,1|H<1>}	106.6160	0.000	1	106.6160	0.000	1	106.3094	0.203	5	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:B-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>,1|W<8>}	C[5a](C[5a]N[5a]C)2(H){1|B<4>,1|W<8>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]W)(BN[5]2H){1|C<3>,1|H<1>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6]HH){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	106.2630	0.000	1	106.2630	0.000	1	106.8323	0.245	3	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH)	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CH3){1|N<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CCCH){1|H<1>,1|N<3>}	107.1170	0.064	2	107.1170	0.004	2	106.8323	0.245	3	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[4]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H)	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[4]C[4]2H){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[4])(C[5a]C[5a]H)(H){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	107.4710	0.000	1	107.4710	0.000	1	107.4710	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	109.5150	0.000	1	109.5150	0.000	1	109.5150	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	107.0310	0.000	1	107.0310	0.000	1	107.0310	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){3|H<1>,4|C<3>}	109.1770	0.000	1	109.1770	0.000	1	109.1665	0.000	2	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	109.1560	0.000	1	109.1560	0.000	1	109.1665	0.000	2	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){2|C<3>,2|H<1>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(PPWW)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(PPWW){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3){2|H<1>}	106.1995	1.743	2	106.1995	3.038	2	106.1995	3.038	2	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Cu)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PCuCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Cu){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PCuCC){2|H<1>}	107.5650	0.000	1	107.5650	0.000	1	107.8413	0.041	7	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Ni)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PNiCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Ni){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PNiCC){2|H<1>}	107.9170	0.147	3	107.9170	0.022	3	107.8413	0.041	7	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Pd)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPdCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Pd){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPdCC){2|H<1>}	107.9630	0.205	2	107.9630	0.042	2	107.8413	0.041	7	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Pt)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPtCC)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(PC[6a]2Pt){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPtCC){2|H<1>}	107.6470	0.000	1	107.6470	0.000	1	107.8413	0.041	7	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	106.7780	0.000	1	106.7780	0.000	1	107.0481	0.065	7	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC[6a]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(SiC[6a]CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	107.0932	0.248	6	107.0932	0.062	6	107.0481	0.065	7	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[4]-4:	C[5a](N[5a]C[5a]C[4])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(C[4]C[4]2H)	C[5a](N[5a]C[5a]C[4])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C)2(C[4]C[4]2H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	106.9725	0.158	2	106.9725	0.025	2	106.9725	0.025	2	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(C[6]C[6]2Cr)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(SiC3){1|Cr<9>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(C[6]C[6]2Cr){2|C<3>,3|C<4>,3|H<1>}	106.4990	0.000	1	106.4990	0.000	1	106.4990	0.000	1	107.3411	0.981	97	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:4:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.1370	0.440	2	105.1370	0.193	2	105.1370	0.193	2	106.5126	1.024	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:P[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	105.7140	0.000	1	105.7140	0.000	1	105.7140	0.000	1	106.5126	1.024	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:Si-4:N[5a]-2:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a])	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|Si<4>}	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a]){1|C<4>,1|H<1>}	107.2970	0.000	1	107.2970	0.000	1	106.9564	0.578	8	106.5126	1.024	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:Si-4:N[5a]-2:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a])	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|Si<4>}	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a]){1|C<4>,1|H<1>}	108.5860	0.000	1	108.5860	0.000	1	106.9564	0.578	8	106.5126	1.024	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:4:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:Si-4:N[5a]-2:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a])	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|Si<4>}	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a]){1|C<4>,1|H<1>}	106.6280	0.355	6	106.6280	0.126	6	106.9564	0.578	8	106.5126	1.024	11	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.8445	0.070	2	105.8445	0.005	2	105.6450	0.056	15	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.7780	0.052	2	105.7780	0.003	2	105.6450	0.056	15	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.6958	0.108	6	105.6958	0.012	6	105.6450	0.056	15	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.6945	0.378	2	105.6945	0.143	2	105.6450	0.056	15	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.2887	0.176	3	105.2887	0.031	3	105.6450	0.056	15	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|P<4>}	105.7880	0.000	1	105.7880	0.000	1	105.6699	0.384	9	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|P<4>}	105.5010	0.925	4	105.6551	0.437	8	105.6699	0.384	9	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]C)2(H){1|P<4>}	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	105.8092	0.318	4	105.6551	0.437	8	105.6699	0.384	9	105.6543	0.168	24	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	107.5730	0.000	1	107.8615	0.166	2	107.8615	0.166	2	108.0012	0.700	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2	C[5a](N[5a]C[5,6]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5,6]C[5,6]2H)(C[5a]C[5a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.1500	0.000	1	107.8615	0.166	2	107.8615	0.166	2	108.0012	0.700	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	108.0012	0.700	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	Si[4]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP){1|Pd<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Si<4>,1|H<1>}	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	108.6090	0.000	1	108.7440	0.036	2	108.7440	0.036	2	108.0012	0.700	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	4:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	Si[4]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(CHHP){1|Pd<4>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Si<4>,1|H<1>}	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	108.8790	0.000	1	108.7440	0.036	2	108.7440	0.036	2	108.0012	0.700	5	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	5:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	Si[4,4]-5:C[5a]-3:N[5a]-2:	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|Si<5>,1|C<4>,2|N<3>}	C[5a](C[5a]N[5a]C)2(H){1|Si<5>}	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|N<3>}	107.1630	0.000	2	107.1630	0.000	2	106.8647	0.504	6	106.8647	0.504	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	5:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	Si[4,4]-5:C[5a]-3:N[5a]-2:	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3){1|Si<5>,1|C<4>,3|N<3>}	C[5a](C[5a]N[5a]C)2(H){1|Si<5>}	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|N<3>}	106.7155	0.867	4	106.7155	0.751	4	106.8647	0.504	6	106.8647	0.504	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(NO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(NO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	105.1120	0.277	2	105.1120	0.077	2	105.1120	0.077	2	106.0027	1.395	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CHHO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CHHO){1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|O<2>}	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.0027	1.395	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(SC[5])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(SC[5]){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	106.2810	0.000	1	106.2810	0.000	1	105.6475	0.803	2	106.0027	1.395	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(SC[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(SC[5a]){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	105.0140	0.000	1	105.0140	0.000	1	105.6475	0.803	2	106.0027	1.395	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:Se-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]Se)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(SeC[5])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]Se)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(SeC[5]){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Se<2>,1|C<4>}	108.0070	0.000	1	108.0070	0.000	1	108.0070	0.000	1	106.0027	1.395	6	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	105.4051	1.757	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(NN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(NN){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<2>}	105.7553	0.373	3	105.7553	0.139	3	105.7553	0.139	3	105.4051	1.757	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	103.8700	0.000	1	103.8700	0.000	1	104.1330	0.053	3	105.4051	1.757	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	104.2645	0.052	2	104.2645	0.003	2	104.1330	0.053	3	105.4051	1.757	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:2:4:	N[5a]-3:C[5a]-3:Si-4:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:N[5a]-2:Si-4:	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]N)(SiC3)	C[5a](C[5a]N[5a]Si)(C[5a]N[5a]N)(NN)	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]N)(SiC3){1|N<3>}	C[5a](C[5a]N[5a]Si)(C[5a]N[5a]N)(NN){1|Si<4>}	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3){1|N<2>,1|N<3>}	105.3380	0.184	2	105.3380	0.034	2	105.3380	0.034	2	105.4051	1.757	9	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	106.4640	0.000	1	106.4640	0.000	1	106.4640	0.000	1	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|O<2>}	106.3810	0.000	1	106.3810	0.000	1	106.3810	0.000	1	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|O<1>,1|S<2>}	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-2:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|S<2>,2|C<3>}	108.7597	0.265	3	108.7597	0.070	3	108.7597	0.070	3	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCCH){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<3>}	105.3110	0.137	3	105.3110	0.019	3	105.4978	0.078	5	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CCHH){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	105.8550	0.000	1	105.8550	0.000	1	105.4978	0.078	5	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	105.7010	0.000	1	105.7010	0.000	1	105.4978	0.078	5	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:S-4:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(SC[6a]OO)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)(SC)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(SC[6a]OO){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)(SC){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(H){1|O<1>,1|S<2>,2|C<3>}	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(SC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(SC[6a]OO){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(SC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]S)(H){1|C<3>,1|S<2>}	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	107.1840	2.732	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	106.4850	0.000	1	106.4850	0.000	1	106.5315	0.004	2	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	106.5780	0.000	1	106.5780	0.000	1	106.5315	0.004	2	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.8037	0.245	3	103.9590	0.123	6	103.7761	0.267	10	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.1850	0.000	1	103.9590	0.123	6	103.7761	0.267	10	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	104.0790	0.585	2	103.9590	0.123	6	103.7761	0.267	10	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.5018	0.654	4	103.5018	0.428	4	103.7761	0.267	10	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	103.9220	0.000	1	103.9220	0.000	1	104.5508	0.710	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	105.1450	0.000	1	105.1450	0.000	1	104.5508	0.710	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	104.5250	0.000	1	104.5250	0.000	1	104.5508	0.710	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	105.7470	0.000	1	105.7470	0.000	1	104.5508	0.710	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	103.3800	0.000	1	103.3800	0.000	1	104.5508	0.710	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	104.5860	0.000	1	104.5860	0.000	1	104.5508	0.710	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.0067	0.159	3	103.0067	0.025	3	103.5316	1.147	9	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	103.7030	0.000	1	103.7030	0.000	1	103.5316	1.147	9	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	104.2340	0.000	1	104.2340	0.000	1	103.5316	1.147	9	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	106.0790	0.000	1	106.0790	0.000	1	103.5316	1.147	9	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	102.7640	0.091	2	102.7640	0.008	2	103.5316	1.147	9	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W)	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W){4|C<3>}	C[5a](C[5a]N[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	103.2200	0.000	1	103.2200	0.000	1	103.5316	1.147	9	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	103.4737	0.454	4	103.4737	0.206	4	103.4737	0.206	4	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]C)2(NN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(NN){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	105.1620	0.000	1	105.8832	0.256	6	105.8832	0.256	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]N[5a]C)2(NN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(NN){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	106.0274	0.405	5	105.8832	0.256	6	105.8832	0.256	6	104.3002	1.478	37	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC){1|C<2>,1|H<1>,2|C<3>}	107.7260	0.305	2	107.7260	0.093	2	107.7260	0.093	2	107.8918	0.210	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:I-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(IC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(IC[6a]){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<2>,2|C<3>}	107.0655	0.237	2	107.0655	0.056	2	107.0655	0.056	2	107.8918	0.210	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	107.9820	0.000	1	107.9820	0.000	1	108.1399	0.036	8	107.8918	0.210	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.1680	0.000	1	108.1680	0.000	1	108.1399	0.036	8	107.8918	0.210	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	108.5080	0.000	1	108.1615	0.045	6	108.1399	0.036	8	107.8918	0.210	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	108.1135	0.152	4	108.1615	0.045	6	108.1399	0.036	8	107.8918	0.210	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	108.0070	0.000	1	108.1615	0.045	6	108.1399	0.036	8	107.8918	0.210	12	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	107.1470	0.000	1	107.1470	0.000	1	107.6698	0.282	4	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	108.3990	0.000	1	108.3990	0.000	1	107.6698	0.282	4	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	107.5665	0.139	2	107.5665	0.019	2	107.6698	0.282	4	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	108.7457	0.314	6	108.7457	0.098	6	108.7457	0.098	6	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	108.4370	0.000	1	108.4370	0.000	1	108.4370	0.000	1	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	108.7710	0.000	1	108.7710	0.000	1	108.1825	0.202	6	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	107.4750	0.000	1	107.4750	0.000	1	108.1825	0.202	6	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	107.9460	0.000	1	107.9460	0.000	1	108.1825	0.202	6	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	108.1610	0.000	1	108.1610	0.000	1	108.1825	0.202	6	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	108.3710	0.190	2	108.3710	0.036	2	108.1825	0.202	6	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NN)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NN){2|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){1|H<1>,1|N<2>}	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	110.1911	0.463	61	110.1911	0.214	61	110.1867	0.212	62	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[5]){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	109.9200	0.000	1	109.9200	0.000	1	110.1867	0.212	62	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	104.4650	0.000	1	104.4650	0.000	1	104.4650	0.000	1	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OSi)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]C)(CCHH){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OSi){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	107.0925	0.015	2	107.0925	0.000	2	107.0925	0.000	2	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|S<2>}	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(CH3){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	104.8860	0.000	1	104.8860	0.000	1	104.8860	0.000	1	109.5231	1.731	85	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC3)	C[5a](C[5a]N[5a]C)2(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC3){1|C<3>}	C[5a](C[5a]N[5a]C)2(COO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	105.6208	0.173	4	105.6208	0.030	4	105.7896	0.165	5	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH){1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(COO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	106.4650	0.000	1	106.4650	0.000	1	105.7896	0.165	5	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(C[5]C[5]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(C[5]C[5]2){1|H<1>,2|C<4>,2|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]N){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	106.4680	0.000	1	106.4680	0.000	1	107.0854	0.510	21	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	107.1272	0.736	19	107.1272	0.542	19	107.0854	0.510	21	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|C<3>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	106.9090	0.000	1	106.9090	0.000	1	107.0854	0.510	21	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.2183	0.144	3	106.2183	0.021	3	106.2183	0.021	3	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC3){1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NOO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	103.3250	0.000	1	103.3250	0.000	1	103.6040	0.156	2	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH)	C[5a](C[5a]N[5a]C)2(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH){1|C<4>}	C[5a](C[5a]N[5a]C)2(NOO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	103.8830	0.000	1	103.8830	0.000	1	103.6040	0.156	2	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(N[5a]C[5a]2){2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	104.7700	0.000	1	104.7700	0.000	1	104.7700	0.000	1	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){2|C<3>}	106.5345	0.257	2	106.5345	0.066	2	106.3800	0.105	3	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.0710	0.000	1	106.0710	0.000	1	106.3800	0.105	3	106.5221	1.189	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|S<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(COO){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	105.9180	0.000	1	105.9180	0.000	1	105.9180	0.000	1	105.9180	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CNO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.1650	0.000	1	106.1650	0.000	1	105.3566	0.715	5	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.2280	0.000	1	106.2280	0.000	1	105.3566	0.715	5	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	104.7967	0.504	3	104.7967	0.254	3	105.3566	0.715	5	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(NOO){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	104.4330	0.000	1	104.4330	0.000	1	104.4330	0.000	1	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CNO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CNO){1|C<4>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.9590	0.000	1	106.9590	0.000	1	107.2590	0.073	4	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(COO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(COO){1|C<4>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.3970	0.298	2	107.3970	0.089	2	107.2590	0.073	4	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SN[5a]OO)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(COO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SN[5a]OO){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(COO){1|C<4>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.2830	0.000	1	107.2830	0.000	1	107.2590	0.073	4	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:S-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(SNOO)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(C[5a]N[5a]S)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(SNOO){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(C[5a]N[5a]S){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.2603	0.230	3	107.2603	0.053	3	107.2603	0.053	3	106.3102	1.464	13	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CCCH)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CCCH){4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|N<2>,3|C<3>}	107.8610	0.000	1	107.8610	0.000	1	107.8610	0.000	1	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|S<4>,3|C<3>}	108.1080	0.000	1	108.1080	0.000	1	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.1170	0.000	1	108.1170	0.000	1	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.2440	0.000	1	108.2440	0.000	1	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.1525	0.008	2	109.1525	0.000	2	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	108.3550	0.000	1	108.3550	0.000	1	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C)(COO){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,2|N<2>}	108.9375	0.224	2	108.9375	0.050	2	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)(H){4|C<3>}	107.8737	0.067	3	107.8737	0.005	3	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){3|C<3>}	108.6850	0.144	2	108.6850	0.021	2	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.1500	0.000	1	109.1500	0.000	1	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.4480	0.000	1	109.4480	0.000	1	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.4290	0.000	1	108.4290	0.000	1	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.9815	0.138	2	108.9815	0.019	2	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.7287	0.275	3	108.7287	0.075	3	108.6272	0.236	21	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.9615	0.328	4	109.0088	0.092	5	109.0377	0.315	7	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.1980	0.000	1	109.0088	0.092	5	109.0377	0.315	7	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[6a]2H){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.1100	1.229	2	109.1100	1.510	2	109.0377	0.315	7	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.3940	0.233	2	108.3940	0.054	2	108.5310	0.084	3	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.8050	0.000	1	108.8050	0.000	1	108.5310	0.084	3	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCCO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.4835	0.148	2	109.4835	0.022	2	109.1406	0.319	10	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CCHH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.2190	0.000	1	109.2190	0.000	1	109.1406	0.319	10	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.1060	0.000	1	109.1060	0.000	1	109.1406	0.319	10	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	108.3770	0.000	1	108.3770	0.000	1	109.1406	0.319	10	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	109.1350	0.431	2	108.7730	0.486	3	109.1406	0.319	10	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.0490	0.000	1	108.7730	0.486	3	109.1406	0.319	10	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CHHO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	109.7090	0.042	2	109.7090	0.002	2	109.1406	0.319	10	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<3>,2|C<3>}	108.5765	0.448	2	108.5765	0.200	2	108.5765	0.200	2	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CC[6a]2H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	110.0460	0.000	1	110.0460	0.000	1	109.2560	1.248	2	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(CH3){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	108.4660	0.000	1	108.4660	0.000	1	109.2560	1.248	2	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.1050	0.419	4	107.1050	0.175	4	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	106.3610	0.000	1	106.3610	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	105.8080	0.000	1	105.8080	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.2393	0.245	7	107.2393	0.060	7	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.2500	0.000	1	107.2500	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	106.9570	0.000	1	106.9570	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CF3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CF3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	107.8870	0.000	1	107.8870	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.3985	0.466	4	107.3985	0.217	4	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	107.9640	0.000	1	107.9640	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.1602	0.771	5	107.1602	0.595	5	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|C<3>}	107.4230	0.000	1	107.4230	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|C<3>}	107.4430	0.000	1	107.4430	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]O)(H){2|C<3>}	107.4836	0.271	10	107.4836	0.074	10	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.8793	0.241	7	107.8793	0.058	7	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.2813	0.108	3	107.2813	0.012	3	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|H<1>}	107.2090	0.000	1	107.2090	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]F)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|F<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|F<1>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]F)(H){1|C<3>,1|H<1>}	107.5820	0.618	2	107.5820	0.382	2	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	106.3890	0.000	1	106.3890	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|Br<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(C[5a]N[5a]C)(COO){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)(H){1|C<3>,1|I<1>}	107.9040	0.475	2	107.9040	0.226	2	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	107.2440	0.000	1	107.2440	0.000	1	107.3679	0.261	55	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCO){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.2880	0.000	1	109.2880	0.000	1	109.0582	0.034	9	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]N){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.0730	0.017	2	109.0730	0.000	2	109.0582	0.034	9	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.0355	0.186	2	109.0355	0.035	2	109.0582	0.034	9	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.0048	0.241	4	109.0048	0.058	4	109.0582	0.034	9	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.7840	0.000	1	109.7840	0.000	1	110.1403	0.919	4	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<2>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.5680	0.000	1	110.2590	1.294	3	110.1403	0.919	4	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	110.6045	1.368	2	110.2590	1.294	3	110.1403	0.919	4	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){1|C<2>,1|C<3>}	108.5383	0.202	3	108.5383	0.041	3	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.3930	0.000	1	107.9320	0.581	2	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CCCH){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	108.4710	0.000	1	107.9320	0.581	2	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.3175	0.219	4	107.5766	0.220	7	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.9220	0.526	3	107.5766	0.220	7	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.1575	0.303	4	107.1575	0.092	4	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	107.8510	0.000	1	107.8165	0.002	2	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	107.7820	0.000	1	107.8165	0.002	2	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	107.8325	0.012	2	107.8325	0.000	2	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CH3){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	108.0946	0.202	5	108.0946	0.041	5	107.7966	0.272	25	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CC[6a]HN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(CC[6a]HN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|N<3>}	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:P-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PCl2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PCl2){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<3>}	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[3]-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[3]C[3]2H){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H){2|C<4>,2|H<1>,3|C<3>}	108.7360	0.000	1	108.7360	0.000	1	108.7360	0.000	1	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CC[6a]2)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CC[6a]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(O){1|H<1>,2|C<3>,2|C<4>}	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(SC[6a]OO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(NHS){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,1|N<3>,2|C<3>}	110.2470	0.000	2	110.2470	0.000	2	110.2470	0.000	2	108.1174	0.921	146	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC){1|F<1>,3|C<3>}	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.1640	0.000	1	106.1640	0.000	1	106.2165	0.006	2	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){1|C<4>,4|C<3>}	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.2690	0.000	1	106.2690	0.000	1	106.2165	0.006	2	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[6]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[6]O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	107.2910	0.000	1	107.2910	0.000	1	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCO){3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.4370	0.000	1	106.4370	0.000	1	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CNO){3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.9100	0.335	3	105.9100	0.112	3	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.9820	0.000	1	105.9820	0.000	1	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN[5a]O){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	105.7940	0.000	1	105.7940	0.000	1	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	C[5a](C[5a]N[5a]C)2(CCO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.1975	0.346	2	106.1975	0.120	2	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CC[5]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(CC[5]H){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.0090	0.000	1	106.0090	0.000	1	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(CHN){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.5180	0.000	1	106.5180	0.000	1	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CHO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(CHO){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	106.0480	0.000	1	106.0480	0.000	1	106.1837	0.201	12	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(COO){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]C)(C[5a]N[5a]H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH){3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,4|C<3>}	104.5120	0.000	1	104.5120	0.000	1	104.5120	0.000	1	106.1783	0.779	18	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CBrHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CBrHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	109.1090	0.000	1	109.1090	0.000	1	108.5673	0.237	4	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	108.5150	0.000	1	108.5150	0.000	1	108.5673	0.237	4	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,3|C<3>}	107.9390	0.000	1	107.9390	0.000	1	108.5673	0.237	4	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHN){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	108.7060	0.000	1	108.7060	0.000	1	108.5673	0.237	4	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH){1|H<1>,3|C<3>}	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	107.7770	0.000	1	107.7770	0.000	1	107.3985	0.287	2	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){1|C<3>,1|H<1>}	107.0200	0.000	1	107.0200	0.000	1	107.3985	0.287	2	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)2(NCH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)2(NCH){2|C<3>}	106.2048	0.319	4	106.2048	0.102	4	106.2048	0.102	4	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCHH){2|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	108.5170	0.000	1	108.5170	0.000	1	108.2265	0.169	2	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.9360	0.000	1	107.9360	0.000	1	108.2265	0.169	2	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(CH3){4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCO){1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CFFH){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|H<1>,5|C<3>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(CCO){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.5980	0.000	1	107.5980	0.000	1	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	107.1680	0.000	1	107.1680	0.000	1	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	107.7480	0.000	1	107.7480	0.000	1	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.3220	0.163	3	107.3220	0.027	3	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.8390	0.000	1	106.8390	0.000	1	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	107.7090	0.089	2	107.7090	0.008	2	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5]H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	107.7130	0.000	1	107.7130	0.000	1	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CHO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	106.9243	0.127	3	106.9243	0.016	3	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	106.6950	0.652	2	106.6950	0.425	2	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	108.6570	0.000	1	106.9966	0.923	5	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	106.5815	0.287	4	106.9966	0.923	5	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	107.1830	0.000	1	107.1830	0.000	1	107.1800	0.328	21	107.4148	0.791	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|H<1>,3|C<3>}	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3){1|C<4>,1|O<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[5a]C[5a]C)(CC[6a]HH){1|C<3>,2|C<4>}	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[4a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){1|C<3>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|C<4>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	108.7050	0.000	1	108.7050	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	109.3310	0.000	1	109.3310	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCS){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.5570	0.000	1	109.5570	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	108.7030	0.000	1	108.7030	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.5000	0.000	1	108.5000	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	109.0930	0.000	1	109.0930	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.1042	0.360	6	109.1042	0.129	6	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.0675	0.052	2	109.0675	0.003	2	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.6400	0.000	1	109.6400	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	109.1580	0.000	1	109.1580	0.000	1	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CHHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.5037	0.054	3	109.5037	0.003	3	109.1557	0.129	19	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.6450	0.000	1	108.6450	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.4630	0.000	1	108.4630	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBrHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.2440	0.303	2	108.2440	0.092	2	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.9180	0.000	1	108.9180	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.5660	0.204	2	108.5660	0.041	2	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.1950	0.000	1	108.1950	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.4270	0.000	1	108.4270	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	109.2583	0.513	3	109.2583	0.263	3	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.9697	0.503	3	107.9697	0.253	3	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]O){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.8730	0.000	1	107.8730	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.3133	0.282	3	108.3133	0.079	3	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.0085	0.257	2	108.0085	0.066	2	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.2730	0.000	1	108.2730	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	109.0510	0.093	2	109.0510	0.009	2	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.8080	0.000	1	107.8080	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.2755	0.261	2	108.2755	0.068	2	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.6960	0.000	1	108.6960	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.1790	0.000	1	108.1790	0.000	1	108.4273	0.239	29	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	108.9870	0.388	5	109.0136	0.119	7	109.0136	0.119	7	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	109.0800	0.311	2	109.0136	0.119	7	109.0136	0.119	7	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCHH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.3800	0.000	1	108.3800	0.000	1	108.3430	0.003	2	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]HO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO){1|H<1>,3|C<3>}	108.3060	0.000	1	108.3060	0.000	1	108.3430	0.003	2	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|S<3>,2|C<3>}	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CH3){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]N[5a]C){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCCH){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CNO){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	107.4315	0.578	2	107.4315	0.334	2	107.3111	0.489	17	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	107.0440	0.000	1	107.0440	0.000	1	107.3111	0.489	17	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<4>}	N[5a](C[5a]C[5a]C)2(CCHH){2|C<3>}	107.2400	1.015	8	107.2762	0.913	9	107.3111	0.489	17	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)2(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<4>}	N[5a](C[5a]C[5a]C)2(CCHH){1|C<3>,1|C<4>}	107.5660	0.000	1	107.2762	0.913	9	107.3111	0.489	17	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	107.3717	0.160	3	107.3717	0.026	3	107.3111	0.489	17	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	107.3590	0.000	1	107.3590	0.000	1	107.3111	0.489	17	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCO){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	107.4220	0.000	1	107.4220	0.000	1	107.3111	0.489	17	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C)2(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CHO){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)2(SC[6a]OO){2|C<3>}	107.0210	0.014	2	107.0210	0.000	2	107.0210	0.000	2	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CHN){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	109.7210	0.000	1	109.7210	0.000	1	109.3302	0.121	5	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	109.2325	0.312	4	109.2325	0.097	4	109.3302	0.121	5	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){1|C<3>,1|H<1>}	108.0500	0.280	3	108.0500	0.078	3	108.0500	0.078	3	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<1>,3|C<3>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(CC[5a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)2(CC[5a]HH){2|C<3>}	107.6490	0.000	1	107.6490	0.000	1	107.9073	0.153	3	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<3>}	107.7150	0.000	1	107.7150	0.000	1	107.9073	0.153	3	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CH3){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	108.3580	0.000	1	108.3580	0.000	1	107.9073	0.153	3	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH)	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CC[6a]HH){1|Se<2>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Se)(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Se<2>,1|C<3>}	106.9140	0.000	1	106.9140	0.000	1	107.2125	0.178	2	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(SCOO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)2(SCOO){1|C<3>,1|H<1>}	107.5110	0.000	1	107.5110	0.000	1	107.2125	0.178	2	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.5275	0.560	10	109.5275	0.314	10	109.6326	0.242	18	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.9335	0.210	2	109.9335	0.044	2	109.6326	0.242	18	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.7690	0.529	4	109.7690	0.280	4	109.6326	0.242	18	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHHO){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.4630	0.000	1	109.4630	0.000	1	109.6326	0.242	18	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CHOO){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCoC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.7060	0.000	1	109.7060	0.000	1	109.6326	0.242	18	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5]-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(N[5]C[5]2){1|C<4>,2|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3)	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	108.5850	0.000	1	108.5850	0.000	1	108.7645	0.064	2	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	108.9440	0.000	1	108.9440	0.000	1	108.7645	0.064	2	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a](N[5a]C[5a,6a]C[3])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H)	C[5a](N[5a]C[5a,6a]C[3])(C[5a]C[5a,6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|C<2>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H){4|C<3>,4|H<1>}	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	108.5963	0.812	119	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]2H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.0370	0.000	1	106.0370	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CC3){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.9390	0.000	1	105.9390	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	106.8510	0.000	1	106.8510	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CCHH){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	107.0250	0.621	2	107.0250	0.385	2	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CCHH){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	106.8270	1.200	3	106.8270	1.440	3	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	107.0530	0.645	7	107.0530	0.416	7	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CC[5a]HH){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	107.0584	0.578	14	107.0584	0.335	14	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CC[6a]HH){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	106.1040	0.341	2	106.1040	0.116	2	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CH3){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	106.3660	0.000	1	106.3660	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CHHN){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	106.0700	0.000	1	106.0700	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CHHO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	106.6380	0.000	1	106.6380	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CHHS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CHHS){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	106.4430	0.000	1	106.4430	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	106.3480	0.000	1	106.3480	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	106.4350	0.000	1	106.4350	0.000	1	106.8123	0.423	37	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH){1|O<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO){1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|O<2>,1|S<4>}	105.3880	0.000	1	105.3880	0.000	1	105.0050	0.166	3	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|S<4>}	104.8135	0.334	2	104.8135	0.112	2	105.0050	0.166	3	106.6767	0.631	40	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CH3){1|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){2|C<4>}	106.0690	0.639	3	106.0690	0.409	3	106.0690	0.409	3	106.0690	0.409	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(CH3){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	106.1173	0.104	3	106.1173	0.011	3	106.1173	0.011	3	107.0040	3.152	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN)	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]O[5a]C)(CH3){1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]O)(CC[6a]HN){1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|O<1>}	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	107.0040	3.152	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	108.6020	0.000	1	108.6020	0.000	1	108.6020	0.000	1	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.5780	0.000	1	108.5780	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.3700	0.000	1	108.3700	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.6750	0.000	1	108.6750	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.5935	0.180	2	109.5935	0.033	2	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.5405	1.002	2	109.5405	1.004	2	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	110.1250	0.000	1	109.9160	0.087	2	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	109.7070	0.000	1	109.9160	0.087	2	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<4>,2|C<3>}	109.3750	0.000	1	109.4172	0.059	13	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|F<1>,2|C<3>}	109.5990	0.000	1	109.4172	0.059	13	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.3623	0.229	10	109.4172	0.059	13	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Cl<1>,1|C<4>,2|C<3>}	109.8260	0.000	1	109.4172	0.059	13	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.9820	0.000	1	109.9820	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.3460	0.000	1	108.3460	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	110.0880	0.000	1	110.0880	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CCHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.3260	0.000	1	109.3260	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.6760	0.000	1	108.6760	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	109.5315	0.153	2	109.5315	0.024	2	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]CN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.4260	0.000	1	109.4260	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8270	0.000	1	108.8270	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[5a]C[6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.7388	0.081	6	109.7388	0.007	6	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.1010	0.000	1	109.1010	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.0160	0.000	1	109.0160	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	110.0010	0.348	2	109.4105	0.662	4	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8200	0.686	2	109.4105	0.662	4	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHS){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.3260	0.000	1	108.3260	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.6630	0.000	1	108.6630	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.6950	0.000	1	109.6950	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8707	0.438	3	108.8707	0.192	3	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.4590	0.000	1	109.4590	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]CO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6,6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.3580	0.000	1	109.3580	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.5000	0.000	1	109.5000	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.8170	0.000	1	109.8170	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]HN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.7115	0.030	2	109.7115	0.001	2	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.3160	0.176	3	108.3160	0.031	3	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.0664	0.451	9	109.0664	0.203	9	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.0210	0.000	1	109.0210	0.000	1	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.1947	0.536	4	109.4788	0.271	8	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	109.7628	0.359	4	109.4788	0.271	8	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CN[5a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.8705	0.255	2	109.8705	0.065	2	109.3085	0.287	78	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|F<1>,2|C<3>}	109.1820	0.000	1	109.1820	0.000	1	109.2740	0.017	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]2H){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.3660	0.000	1	109.3660	0.000	1	109.2740	0.017	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|P<4>,2|C<3>}	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	107.7720	0.000	1	107.7720	0.000	1	107.5690	0.082	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	107.3660	0.000	1	107.3660	0.000	1	107.5690	0.082	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC3){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	106.6240	0.088	2	106.6240	0.008	2	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.1388	0.740	4	107.1388	0.548	4	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.9840	0.000	1	108.9840	0.000	1	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(H){1|C<3>,1|C<4>}	108.1445	0.257	4	108.1445	0.066	4	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|H<1>}	108.1480	0.000	1	108.1480	0.000	1	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]2C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.5450	0.105	2	107.5450	0.011	2	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]CH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.1675	0.033	2	108.1675	0.001	2	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.2425	0.206	6	108.1437	0.069	8	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HH){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.8475	0.189	2	108.1437	0.069	8	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[5a]HO){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	108.0630	0.457	2	108.0630	0.209	2	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|C<4>}	107.7755	0.013	2	107.7755	0.000	2	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.0947	0.525	17	108.0947	0.276	17	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	108.4780	0.000	1	108.4780	0.000	1	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	107.1570	0.000	1	107.1570	0.000	1	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHHN)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CHHN){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|C<4>,1|O<2>}	108.2545	0.648	2	108.2545	0.420	2	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN[5]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	108.4450	0.000	1	108.4450	0.000	1	107.9593	0.353	50	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	109.1390	0.132	2	109.1390	0.017	2	109.5050	0.411	3	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	110.2370	0.000	1	110.2370	0.000	1	109.5050	0.411	3	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]2H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	109.7615	0.186	2	109.7615	0.035	2	109.1815	1.254	6	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	109.4360	0.598	2	109.4360	0.358	2	109.1815	1.254	6	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	109.7040	0.000	1	109.7040	0.000	1	109.1815	1.254	6	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)2(CC[5]HH)	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|Zn<4>,1|C<3>}	C[5a](C[5a]N[5a]C)2(CC[5]HH){1|Zn<4>,1|H<1>}	N[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(H){1|C<3>,1|C<4>}	106.9900	0.000	1	106.9900	0.000	1	109.1815	1.254	6	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2Mo)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2Mo){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<4>}	105.7210	0.000	1	105.7210	0.000	1	105.7765	0.006	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){1|H<1>,1|P<4>}	105.8320	0.000	1	105.8320	0.000	1	105.7765	0.006	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|S<4>}	106.1700	0.000	1	106.1700	0.000	1	106.1700	0.000	1	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(SC[6a]OO){2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|O<1>,1|S<4>}	107.4835	0.245	2	107.4835	0.060	2	107.4835	0.060	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.5790	0.000	1	109.2130	0.268	2	109.5310	0.437	3	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	108.8470	0.000	1	109.2130	0.268	2	109.5310	0.437	3	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.1670	0.000	1	110.1670	0.000	1	109.5310	0.437	3	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]2C){1|N<4>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|C<3>,4|H<1>,6|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	109.0065	0.291	2	109.0065	0.084	2	109.0065	0.084	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	109.5540	0.000	1	109.5540	0.000	1	109.5064	0.075	5	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	109.0770	0.000	1	109.2545	0.063	2	109.5064	0.075	5	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	109.4320	0.000	1	109.2545	0.063	2	109.5064	0.075	5	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.7345	0.066	2	109.7345	0.004	2	109.5064	0.075	5	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2Cu)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2Cu){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	109.2213	0.116	3	109.2213	0.013	3	109.1436	0.250	7	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Ir)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Ir){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	109.4420	0.000	1	109.4420	0.000	1	109.1436	0.250	7	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	109.4310	0.000	1	109.4310	0.000	1	109.1436	0.250	7	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Rh)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2Rh){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	108.7340	0.974	2	108.7340	0.949	2	109.1436	0.250	7	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]P)(H){1|C<4>,1|H<1>}	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:S-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(SCOO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	109.8035	0.234	2	109.8035	0.055	2	109.8035	0.055	2	108.7925	0.886	169	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]P)(N[5a]C[5a]O)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]O)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH){1|C<4>,1|P<4>}	105.8710	0.000	1	105.8710	0.000	1	105.8710	0.000	1	105.8710	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,3|C<3>}	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>}	108.9049	0.413	15	108.9049	0.171	15	108.9049	0.171	15	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]N)(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CC[6a]HH){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(COO){1|C<4>,1|O<1>}	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]2C){1|N<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|H<1>,4|C<3>,6|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,3|C<3>,3|C<4>}	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(COO){2|C<4>,2|H<1>,3|C<3>}	108.1955	0.390	2	108.1955	0.152	2	108.1955	0.152	2	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>}	110.2670	0.000	1	110.2670	0.000	1	110.2670	0.000	1	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:Si-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SiC3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCHH){1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(COO){1|C<4>,1|H<1>,2|C<3>}	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<4>,4|C<3>}	109.6190	0.000	1	109.6190	0.000	1	109.7970	0.063	2	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CHHO){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	109.9750	0.000	1	109.9750	0.000	1	109.7970	0.063	2	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[5a]HH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	107.6190	0.444	2	107.6190	0.197	2	107.6190	0.197	2	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(CH3){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)2(N[5a]C[5a]2){2|C<3>,4|C<4>}	106.4393	0.183	4	106.4393	0.034	4	106.4393	0.034	4	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3){1|Cl<1>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)(CH3){1|Cl<1>,3|C<3>}	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	108.8525	0.070	2	108.8525	0.005	2	108.8525	0.005	2	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[5]C[5]2Fe)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C[5])(C[5]C[5]2Fe)	N[5a](C[5a]C[5a]C[5])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[5]C[5]2Fe){1|Fe<10>,2|C<3>,2|H<1>,6|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C[5])(C[5]C[5]2Fe){2|Fe<10>,1|C<3>,2|H<1>,7|C<4>}	N[5a](C[5a]C[5a]C[5])2(C[6a]C[6a]2){2|Fe<10>,2|C<3>,2|H<1>,6|C<4>}	107.5155	0.333	2	107.5155	0.111	2	107.5155	0.111	2	108.3896	1.180	36	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.6620	0.000	1	107.6620	0.000	1	107.6170	0.004	2	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:B-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(BF3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]B)(CHHN){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	107.5720	0.000	1	107.5720	0.000	1	107.6170	0.004	2	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.1910	0.000	1	109.1910	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]CH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.7990	0.205	2	109.7990	0.042	2	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	108.6925	0.066	2	108.6925	0.004	2	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[5a]C[6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.6540	0.000	1	109.6540	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	109.3820	0.000	1	109.3820	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]CH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.8035	1.190	2	109.8035	1.416	2	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	109.9120	0.000	1	109.9120	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.7980	0.211	4	109.7980	0.045	4	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCFF){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	108.8005	0.108	2	108.8005	0.012	2	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	109.2630	0.000	1	109.2630	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	109.7930	0.000	1	109.7930	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	109.8490	0.445	2	109.8490	0.198	2	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.7357	0.294	6	109.7357	0.087	6	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	109.7870	0.000	1	109.7870	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|N<2>,1|O<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	109.1380	0.000	1	109.1380	0.000	1	109.5577	0.236	28	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(CC[5a]2Rh)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(PC[6a]2Rh)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(CC[5a]2Rh){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	109.3580	0.662	3	109.3580	0.438	3	109.3580	0.438	3	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBr2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CBr2H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBr2H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.7520	0.000	1	108.7520	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.0675	0.332	2	108.0675	0.110	2	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.8950	0.000	1	107.8950	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[5a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.9320	0.000	1	108.9320	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.8030	0.000	1	108.8030	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.4770	0.000	1	108.4770	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.5290	0.000	1	108.5290	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.8323	0.308	3	108.8323	0.095	3	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.7410	0.000	1	108.7410	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CHHO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.7230	0.000	1	108.7230	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.2280	0.000	1	108.2280	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN[5]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.9060	0.000	1	108.9060	0.000	1	108.5745	0.141	15	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.9823	0.273	3	107.9823	0.075	3	107.9823	0.075	3	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CC[6a]CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(CC[6a]CH){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	108.5080	0.000	1	108.5080	0.000	1	107.8263	0.428	7	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)2(CCHH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){2|C<4>}	N[5a](C[5a]C[5a]C)2(CCHH){1|C<3>,1|C<4>}	108.3080	0.000	1	108.3080	0.000	1	107.8263	0.428	7	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	107.4520	0.000	1	107.4520	0.000	1	107.8263	0.428	7	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){2|C<4>}	108.5140	0.000	1	108.5140	0.000	1	107.8263	0.428	7	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(COOU)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)2(COOU){2|C<4>}	107.1150	0.495	2	107.1150	0.245	2	107.8263	0.428	7	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH)	N[5a](C[5a]C[5a]C)2(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]CH){2|C<4>}	N[5a](C[5a]C[5a]C)2(CC[6a]HH){1|C<4>,1|H<1>}	107.7720	0.000	1	107.7720	0.000	1	107.8263	0.428	7	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CHHO)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(CHHO){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>}	106.7050	0.000	1	106.7050	0.000	1	106.7050	0.000	1	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	111.1400	0.000	1	111.1400	0.000	1	110.9215	0.095	2	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]HN){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	110.7030	0.000	1	110.7030	0.000	1	110.9215	0.095	2	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-4:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	108.1623	0.607	3	108.1623	0.369	3	108.1623	0.369	3	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC[6a]OO)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SC[6a]OO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CCHH){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>}	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	108.3410	0.000	1	108.3410	0.000	1	108.3950	0.006	2	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	108.4490	0.000	1	108.4490	0.000	1	108.3950	0.006	2	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cu)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Cu){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cu){1|C<4>,1|H<1>,2|C<3>}	109.8380	0.161	2	109.8380	0.026	2	109.9287	0.146	19	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Rh)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Rh){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	110.1746	0.210	10	110.1746	0.044	10	109.9287	0.146	19	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Ru)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Ru)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Ru){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Ru){1|C<4>,1|H<1>,2|C<3>}	109.9483	0.265	3	109.9483	0.070	3	109.9287	0.146	19	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Cr)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cr)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Cr){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cr){1|C<4>,1|H<1>,2|C<3>}	109.2510	0.000	1	109.2510	0.000	1	109.9287	0.146	19	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Ru)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PN[5a]2Ru)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[6a]2Ru){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PN[5a]2Ru){1|C<4>,1|H<1>,2|C<3>}	109.3757	0.186	3	109.3757	0.035	3	109.9287	0.146	19	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH){1|C<3>,1|C<4>}	106.1870	0.000	1	106.1870	0.000	1	106.1870	0.000	1	109.0682	0.987	91	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:4:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C){3|C<3>,3|C<4>,3|H<1>}	110.3970	0.000	1	110.3970	0.000	1	110.1765	0.097	2	110.1765	0.097	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:4:3:	N[5a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(CH3){1|Zr<12>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	109.9560	0.000	1	109.9560	0.000	1	110.1765	0.097	2	110.1765	0.097	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:2:	3:2:4:	C[5a]-3:N[5a]-3:P[6]-4:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2C)	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a])	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2C){1|Fe<10>,2|C<4>,2|P<4>}	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]){1|C<2>,2|H<1>,2|N<2>,3|C<4>}	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<2>,1|C<4>,2|N<2>}	104.3930	0.000	1	104.3930	0.000	1	104.1695	0.100	2	104.1695	0.100	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:2:	3:2:4:	C[5a]-3:N[5a]-3:P[6]-4:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2F)	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a])	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2F){1|Fe<10>,2|C<4>,2|P<4>}	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]){1|F<1>,2|H<1>,2|N<2>,3|C<4>}	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|F<1>,2|N<2>}	103.9460	0.000	1	103.9460	0.000	1	104.1695	0.100	2	104.1695	0.100	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(CC[6a]C[5]H)(C[5a]N[5a]C){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.9500	0.000	1	105.9500	0.000	1	105.9500	0.000	1	105.9500	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]2O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[6a]C[6]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.4510	0.000	1	109.4510	0.000	1	109.0498	0.350	5	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[4]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.2635	0.008	2	109.2635	0.000	2	109.0498	0.350	5	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.6355	0.896	2	108.6355	0.803	2	109.0498	0.350	5	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]H)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]H)(CC3){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,6]C[4]H)(C[5a]N[5a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8010	0.000	1	108.8010	0.000	1	108.8010	0.000	1	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CCCH){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.2505	0.080	2	109.2505	0.006	2	108.9769	0.124	7	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.4410	0.000	1	109.4410	0.000	1	108.9769	0.124	7	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C){1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.8410	0.000	1	108.8410	0.000	1	108.9769	0.124	7	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3){1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C){1|O<1>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.7135	0.305	2	108.7135	0.093	2	108.9769	0.124	7	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5,5a]C[5]H)(C[5a]N[5a]C){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	108.6280	0.000	1	108.6280	0.000	1	108.9769	0.124	7	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.0314	0.191	14	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	108.1630	0.077	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CC3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.1630	0.077	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	109.7230	0.337	2	109.7230	0.113	2	109.7230	0.113	2	109.7230	0.113	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:C-4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	C[5a](CC[6a]2N[6])(C[5a]N[5a]C)(N[5a]N[5a]){1|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	104.1600	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	4:3:3:	3:2:3:	C[5a]-3:N[5a]-3:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2{1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O){2|C<4>}	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	105.6540	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	4:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2{2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){2|C<4>}	106.3410	0.000	1	106.3410	0.000	1	106.4410	0.025	3	106.4410	0.025	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	4:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)2{2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	106.4910	0.187	2	106.4910	0.035	2	106.4410	0.025	3	106.4410	0.025	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:4:	4:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C-4:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](CC[5a]C[6a]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	109.4150	0.027	2	109.4150	0.001	2	109.4150	0.001	2	109.4150	0.001	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:3:6:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:S-6:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	105.6200	0.000	1	105.6200	0.000	1	105.6200	0.000	1	105.6200	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	3:3:1:	3:3:2:	N[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<10>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	105.5070	0.000	1	105.5070	0.000	1	105.5070	0.000	1	105.5070	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	3:3:1:	3:3:3:	N[5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	3:3:3:	3:3:1:	C[5a]-3:C-4:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]C[6a])(CC[6a]C[5]H)(N[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(H){2|C<3>}	110.1210	0.008	2	110.1210	0.000	2	110.1210	0.000	2	109.8187	0.053	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H){2|O<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[5]){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,6|C<3>}	109.6985	0.142	4	109.6985	0.020	4	109.6985	0.020	4	109.8187	0.053	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,5|C<3>}	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	109.8187	0.053	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	3:3:4:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C-1:	C[5a](C[5a]C[5a]C[5])(C[5]C[5]2Fe)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C[5])(C[5]C[5]2Fe)	N[5a](C[5a]C[5a]C[5])2(C)	C[5a](C[5a]C[5a]C[5])(C[5]C[5]2Fe)(N[5a]C[5a]C){1|Fe<10>,2|H<1>,6|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C[5])(C[5]C[5]2Fe){2|Fe<10>,1|C<1>,2|H<1>,7|C<4>}	N[5a](C[5a]C[5a]C[5])2(C){2|Fe<10>,6|C<4>}	108.3685	0.767	2	108.3685	0.589	2	108.3685	0.589	2	108.3685	0.589	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	3:4:2:	3:2:4:	C[5a]-3:C[5]-4:N[5a]-3:	C[5a]-3:P[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(P[6]N[6]2F)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C){1|F<1>,2|C<4>,2|H<1>,2|N<2>}	C[5a](C[5a]N[5a]C[5])(P[6]N[6]2F)(N[5a]N[5a]){1|Fe<10>,2|P<4>,3|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	102.8180	0.000	1	102.8180	0.000	1	102.8180	0.000	1	102.8180	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	4:3:2:	3:2:4:	C[5a]-3:C[5]-4:N[5a]-3:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C)	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]){1|Fe<10>,1|C<3>,1|N<2>,2|P<4>,3|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	103.3360	0.000	1	103.1960	0.039	2	103.1960	0.039	2	103.1960	0.039	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	3:4:3:	4:3:2:	3:2:4:	C[5a]-3:C[5]-4:N[5a]-3:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C)	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]){1|Fe<10>,1|C<3>,1|N<3>,2|P<4>,3|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	103.0560	0.000	1	103.1960	0.039	2	103.1960	0.039	2	103.1960	0.039	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:2:1:	3:2:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH){1|C<4>,1|O<2>,2|H<1>}	104.0195	0.414	2	104.0195	0.171	2	104.0195	0.171	2	104.0195	0.171	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]H){2|H<1>,3|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,1|H<1>,3|C<4>}	106.0545	0.005	2	106.0545	0.000	2	106.0545	0.000	2	106.0545	0.000	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:2:3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]C){2|H<1>,3|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO){1|Fe<10>,1|H<1>,3|C<4>}	104.7960	0.544	2	104.7960	0.296	2	104.7960	0.296	2	104.7960	0.296	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:2:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B){2|H<1>,3|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,1|H<1>,3|C<4>}	107.8130	0.000	1	107.8130	0.000	1	107.4895	0.209	2	107.4895	0.209	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:2:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B){2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]H)(H){1|Fe<10>,1|B<4>,2|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,2|C<4>,2|H<1>}	107.1660	0.000	1	107.1660	0.000	1	107.4895	0.209	2	107.4895	0.209	2	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.6245	0.307	4	107.1960	0.617	8	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.7675	0.925	4	107.1960	0.617	8	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	106.7398	1.139	4	106.7398	1.296	4	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.7025	0.142	2	107.7025	0.020	2	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.5511	0.219	7	107.1980	0.329	11	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5800	0.450	4	107.1980	0.329	11	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.1467	0.382	17	107.1467	0.146	17	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	107.5084	0.450	11	106.9580	0.576	134	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.9088	0.762	123	106.9580	0.576	134	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	106.1470	0.187	2	106.1470	0.035	2	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.1913	0.360	30	107.1913	0.130	30	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	108.0507	0.417	8	107.2398	0.546	21	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.7408	0.317	13	107.2398	0.546	21	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5x3,5x5,20x6]HO)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](CC[5x3,5x5,20x6]HO)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.7540	0.000	1	107.7540	0.000	1	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	109.1580	0.076	2	107.4527	1.766	6	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.6000	0.180	4	107.4527	1.766	6	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.5410	0.000	1	106.5410	0.000	1	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	107.3450	0.235	2	107.3450	0.055	2	107.0575	0.512	239	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5,5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5,5]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H)	C[5a](C[5,5]C[5,5]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5,5]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>,2|H<1>}	106.7271	0.516	7	106.7271	0.266	7	106.7271	0.266	7	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H){2|C<3>,2|C<4>,3|H<1>}	109.0230	0.000	1	109.0230	0.000	1	109.2450	0.099	2	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,6]C[5a])(H)	C[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5,6]C[5a])(H){2|C<3>,2|C<4>,2|H<1>}	109.4670	0.000	1	109.4670	0.000	1	109.2450	0.099	2	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){2|H<1>,3|C<3>}	107.6305	0.661	4	107.6305	0.436	4	107.4329	0.651	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	107.6060	0.000	1	107.6060	0.000	1	107.4329	0.651	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)(H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	107.6290	0.000	1	107.6290	0.000	1	107.4329	0.651	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	106.3210	0.000	1	106.3210	0.000	1	107.4329	0.651	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5]N[5]O)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	C[5a](C[5]C[5]N[5]O)(C[5a]C[5a]H)(N[5a]C[5a]H){1|Ni<4>,1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	108.1525	0.952	2	108.1525	0.907	2	107.4329	0.651	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,3|H<1>}	106.6895	0.829	2	106.6895	0.688	2	107.4329	0.651	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(H){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<3>,2|C<4>,3|H<1>}	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,2|C<3>,5|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<4>,3|H<1>}	106.9580	0.000	1	106.9580	0.000	1	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[5]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	107.2570	0.000	1	107.2570	0.000	1	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	107.5660	0.000	1	107.5660	0.000	1	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	106.5280	0.028	2	106.5280	0.001	2	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	106.4150	0.334	2	106.4150	0.111	2	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	106.7870	0.000	1	106.7870	0.000	1	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	107.2170	0.000	1	107.3790	0.020	3	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	107.4600	0.007	2	107.3790	0.020	3	106.9628	0.213	11	107.0900	0.556	272	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:3:	C[5]-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	108.2605	0.317	2	108.2605	0.101	2	108.8837	0.411	12	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	107.9730	0.257	2	107.9730	0.066	2	108.8837	0.411	12	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(CH3)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)2(CH3){2|H<1>}	109.2671	0.327	8	109.2671	0.107	8	108.8837	0.411	12	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[3,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO)	C[5a](C[3,6]C[3,6,6]C[3,6]C[6])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]N[5a])(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	108.3875	0.086	2	108.3875	0.007	2	108.3875	0.007	2	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[5])(CCHH){1|O<2>,3|H<1>,4|C<4>}	106.9680	0.000	1	106.9680	0.000	1	106.9680	0.000	1	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	108.0630	0.000	1	108.0630	0.000	1	107.4281	0.314	9	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	107.5770	0.000	1	107.5770	0.000	1	107.4281	0.314	9	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|Fe<10>,1|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	108.3870	0.000	1	108.3870	0.000	1	107.4281	0.314	9	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|S<4>,2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	107.1490	0.449	4	107.1490	0.202	4	107.4281	0.314	9	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){3|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	107.2790	0.000	1	107.2790	0.000	1	107.4281	0.314	9	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	106.9510	0.000	1	106.9510	0.000	1	107.4281	0.314	9	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:1:	3:3:4:	P[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-4:	C[5a](P[5]C[5]2Pd)(C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]N[5a]P[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)(NPdCC)	C[5a](P[5]C[5]2Pd)(C[5a]C[5a]H)(N[5a]C[5a]N){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]P[5])(C[5a]C[5a]H)(H){1|Pd<4>,1|H<1>,1|N<4>,2|C<3>}	N[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)(NPdCC){2|C<3>,2|H<1>}	106.6810	0.000	2	106.6810	0.000	2	106.6810	0.000	2	108.0995	0.921	27	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:2:4:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-2:C-4:	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CF3){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	105.0753	0.266	4	105.0753	0.071	4	105.0753	0.071	4	105.0753	0.071	4	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|C<4>}	107.7560	0.559	2	107.7560	0.312	2	107.7560	0.312	2	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|H<1>,3|C<3>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	109.1150	0.498	2	109.1150	0.248	2	109.5377	0.240	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	109.1440	0.000	1	109.1440	0.000	1	109.5377	0.240	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	109.6850	0.000	1	109.6850	0.000	1	109.5377	0.240	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	109.5240	0.000	1	109.5240	0.000	1	109.5377	0.240	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.2390	0.000	1	110.2390	0.000	1	109.5377	0.240	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5]N[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.9420	0.000	1	109.9420	0.000	1	109.5377	0.240	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,2|C<3>,4|C<4>}	108.5550	0.000	1	109.0515	0.230	10	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	108.9495	0.132	2	109.0515	0.230	10	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	109.5325	0.233	2	109.0515	0.230	10	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,2|C<3>,4|C<4>}	109.3930	0.000	1	109.0515	0.230	10	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){3|C<3>,4|C<4>}	108.7863	0.673	3	109.0515	0.230	10	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	109.2440	0.000	1	109.0515	0.230	10	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<4>,2|H<1>,3|C<3>}	109.7010	0.000	1	109.5437	0.249	6	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<3>,2|H<1>,3|C<4>}	109.3247	0.414	4	109.5437	0.249	6	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<3>,2|H<1>,3|C<4>}	110.2620	0.000	1	109.5437	0.249	6	109.2361	0.282	16	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	109.0793	0.173	6	109.0793	0.030	6	109.0879	0.025	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	109.1390	0.000	1	109.1390	0.000	1	109.0879	0.025	7	109.1771	0.361	32	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a](C[5]C[3x5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	108.1740	0.236	3	108.1740	0.056	3	108.0717	0.079	4	108.3419	0.228	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a](C[5]C[5,5]C[5,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,3|C<3>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	107.7650	0.000	1	107.7650	0.000	1	108.0717	0.079	4	108.3419	0.228	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	108.9260	0.386	2	108.9260	0.149	2	108.7020	0.225	3	108.3419	0.228	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:3:4:	3:3:4:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]N[5a])(CCHH){2|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO){2|C<3>,2|H<1>,3|C<4>}	108.2540	0.000	1	108.2540	0.000	1	108.7020	0.225	3	108.3419	0.228	7	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:4:2:	3:2:4:	P[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a])	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>,2|P<4>}	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]){1|C<3>,2|H<1>,2|N<2>,3|C<4>}	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	103.8300	0.000	1	104.2870	0.786	3	104.2870	0.786	3	104.2870	0.786	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP2	C[5a]	C[5a]	N[5a]	4:3:3:	3:4:2:	3:2:4:	P[6]-4:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a])	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|P<4>}	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]){1|C<3>,2|H<1>,2|N<2>,3|C<4>}	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	104.5155	1.122	2	104.2870	0.786	3	104.2870	0.786	3	104.2870	0.786	3	107.6160	5.270	14039	107.7427	6.216	32488
727	727	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	109.2945	0.415	2	109.2945	0.172	2	109.2945	0.172	2	109.2945	0.172	2	110.4055	1.108	6	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,5a]-3:Si[5]-4:	C[5,5a]-3:C[5a,6a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,2|C<4>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(Si[5]C[5,6a]CC){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|Si<4>,1|H<1>,4|C<3>}	110.2290	0.000	1	110.2290	0.000	1	110.2290	0.000	1	111.0805	1.450	2	110.4055	1.108	6	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|S<4>,2|C<4>,3|C<3>}	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	111.0805	1.450	2	110.4055	1.108	6	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]C[5]CH){4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	110.4055	1.108	6	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	N[5a]	3:3:4:	4:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH)	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]S)(C[5]C[3x5]HH){2|C<4>,4|C<3>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	110.4055	1.108	6	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5,5a]	C[5a]	N[5,5a]	3:3:4:	3:3:4:	3:3:3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]O[5]CC){1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a])	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(S[5a]C[5a]){2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|N<3>,4|C<3>}	112.4250	0.158	2	112.4250	0.025	2	112.4250	0.025	2	112.4250	0.025	2	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a,6a]C[5a,6a]2)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	109.6280	0.115	3	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:S[5a]-2:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H)	C[5a,5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,5a]C[5a]N[5a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.5015	0.367	2	109.5015	0.135	2	109.5015	0.135	2	109.6280	0.115	3	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]O)(CN[5a])	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2{2|C<2>,2|O<1>}	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]C[5a]C)2{2|C<2>,2|O<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]O)(CN[5a]){1|C<3>,1|N<3>,2|C<2>}	103.7407	0.845	3	103.7407	0.714	3	103.7407	0.714	3	103.7407	0.714	3	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	110.3363	2.467	4	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[6]-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,1|N<3>,2|N<2>,3|C<4>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,1|N<3>,2|N<2>,3|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,3|N<3>,4|H<1>}	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.3363	2.467	4	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[5a]N[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[5a]N[5a]C){2|C<3>,2|C<4>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]N[5a]C){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	110.3363	2.467	4	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a,5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,5a](C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,5a](C[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]N[5a]2){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	110.3363	2.467	4	108.8584	11.238	12	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|C<2>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	107.3080	0.259	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:2:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN){1|H<1>,2|N<3>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.3080	0.259	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N-3:	C[5a,5a]-3:C[5a]-3:C[6]-4:	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NC[6]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,1|N<3>,2|N<2>,3|C<4>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NC[6]H){2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,3|N<3>,4|H<1>}	140.4390	0.000	1	140.4390	0.000	1	140.4390	0.000	1	140.4390	0.000	1	140.4390	0.000	1	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	109.9613	5.888	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:S[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6]){1|H<1>,2|O<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO){1|H<1>,2|N<2>,4|C<3>}	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	111.4605	5.402	2	109.9613	5.888	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	111.4605	5.402	2	109.9613	5.888	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	109.9613	5.888	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:2:	3:2:3:	3:4:3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.9920	0.000	1	105.9920	0.000	1	105.9920	0.000	1	105.9920	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ir)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Br)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ir){1|Br<1>,1|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Br<1>,1|Ir<6>,1|C<3>,1|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]Br)(H){1|Ir<6>,2|C<3>}	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	106.3310	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	108.8290	0.000	1	108.8290	0.000	1	108.8290	0.000	1	109.1437	0.464	3	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|S<1>,1|S<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	108.6770	0.000	1	108.6770	0.000	1	108.6770	0.000	1	109.1437	0.464	3	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[4]-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	109.1437	0.464	3	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3)	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:3:4:	3:4:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	109.9157	0.159	3	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.2720	0.000	1	109.8785	0.310	2	109.8785	0.310	2	109.9157	0.159	3	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	3:4:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.4850	0.000	1	109.8785	0.310	2	109.8785	0.310	2	109.9157	0.159	3	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a]	4:3:3:	3:3:2:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(O[6]C[6,6a]){1|H<1>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO){1|H<1>,1|O<2>,5|C<3>}	107.3992	0.374	4	107.3992	0.140	4	107.3992	0.140	4	107.3992	0.140	4	108.8694	2.390	18	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a,6a]	N[5a,6,6]	3:3:2:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[5a,6a]-3:N[6]-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	In[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6,6](In[4x6]N[5a,6,6]3Fe)(C[5a,6]C[5a,6a]N[6])2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[5a,6a]C[5a,6a]C[6a])(N[6]C[5a,6]){1|Fe<8>,1|H<1>,1|N<2>,3|C<3>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|In<5>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6,6](In[4x6]N[5a,6,6]3Fe)(C[5a,6]C[5a,6a]N[6])2{8|C<3>}	109.0192	0.082	5	109.0192	0.007	5	109.0192	0.007	5	109.0192	0.007	5	109.0192	0.007	5	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	105.8010	0.000	1	105.8010	0.000	1	105.8010	0.000	1	105.8010	0.000	1	107.1407	1.643	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|P<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	107.1407	1.643	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	107.1407	1.643	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6]	C[5a]	N[5a,6]	4:3:3:	3:3:1:	4:3:3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	107.1407	1.643	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a,6a]	C[5a]	N[5a,6a,6a]	4:3:3:	3:3:3:	4:3:3:	B[3x6a]-4:N[5a,6a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:N-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N)	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[5a,6a,6a]C[5a,6a]B[3x6a])(C[5a]C[5a,6a]N){2|N<3>,7|C<3>}	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,2|C<3>,2|C<4>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	106.5880	0.000	1	106.5880	0.000	1	106.4650	0.030	2	106.4650	0.030	2	106.4650	0.030	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|C<4>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|S<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	106.3420	0.000	1	106.3420	0.000	1	106.4650	0.030	2	106.4650	0.030	2	106.4650	0.030	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[5a,6a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.8805	0.158	2	107.8805	0.025	2	107.8805	0.025	2	107.8805	0.025	2	107.8805	0.025	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:2:3:	4:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	104.6510	0.000	1	105.4610	1.312	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	106.2710	0.000	1	105.4610	1.312	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:3:3:	3:2:3:	3:4:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:B[5a,5a]-4:C[5a]-3:	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	107.0020	0.000	1	108.4060	1.752	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.1080	0.547	2	108.4060	1.752	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:S[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO){1|H<1>,2|N<2>,4|C<3>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	109.1080	0.547	2	108.4060	1.752	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a]){1|H<1>,1|N<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	105.4120	0.000	1	107.6927	4.322	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.8330	0.842	2	107.6927	4.322	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	108.8330	0.842	2	107.6927	4.322	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:2:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]O[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CCH){1|O<1>,2|C<3>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,4|C<3>}	110.6645	0.354	2	110.6645	0.126	2	110.6645	0.126	2	110.6645	0.126	2	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(N[6a]C[6a]){1|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C){1|H<1>,2|C<3>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	105.1590	0.000	1	105.1590	0.000	1	105.3275	0.057	2	106.5350	3.656	5	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	105.4960	0.000	1	105.4960	0.000	1	105.3275	0.057	2	106.5350	3.656	5	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	104.8660	0.000	1	104.8660	0.000	1	104.8660	0.000	1	106.5350	3.656	5	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|H<1>,1|N<2>,4|C<3>}	108.0650	0.000	1	108.0650	0.000	1	108.5770	0.524	2	106.5350	3.656	5	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	109.0890	0.000	1	109.0890	0.000	1	108.5770	0.524	2	106.5350	3.656	5	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Pd<4>,1|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.9030	0.000	1	109.9030	0.000	1	109.9030	0.000	1	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	110.3640	0.621	2	110.3640	0.385	2	110.3640	0.385	2	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	108.3960	0.000	1	108.3960	0.000	1	109.1965	0.382	6	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|C<4>,4|C<3>}	108.8625	0.398	2	108.8625	0.158	2	109.1965	0.382	6	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	109.3760	0.000	1	109.3760	0.000	1	109.1965	0.382	6	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	109.8410	0.157	2	109.8410	0.025	2	109.1965	0.382	6	109.3370	0.685	12	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){1|H<1>,5|C<3>}	108.0840	0.000	1	108.0840	0.000	1	107.8185	0.398	6	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	107.2405	0.084	2	107.2405	0.007	2	107.8185	0.398	6	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	108.1765	0.978	2	108.1765	0.956	2	107.8185	0.398	6	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	107.9930	0.000	1	107.9930	0.000	1	107.8185	0.398	6	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|C<4>,1|H<1>,4|C<3>}	108.6680	0.000	1	108.6680	0.000	1	108.7758	0.065	4	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){1|H<1>,1|N<3>,4|C<3>}	108.5500	0.000	1	108.5500	0.000	1	108.7758	0.065	4	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|C<4>,1|H<1>,4|C<3>}	108.7470	0.000	1	108.7470	0.000	1	108.7758	0.065	4	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){1|H<1>,1|N<3>,4|C<3>}	109.1380	0.000	1	109.1380	0.000	1	108.7758	0.065	4	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	109.9985	0.482	2	109.9985	0.232	2	109.3815	0.592	4	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]Pt){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	108.7645	0.149	2	108.7645	0.022	2	109.3815	0.592	4	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.3870	0.000	1	109.3870	0.000	1	109.0364	0.083	15	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	108.7725	0.400	2	109.0114	0.079	14	109.0364	0.083	15	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	108.9783	0.272	4	109.0114	0.079	14	109.0364	0.083	15	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	109.1480	0.124	2	109.0114	0.079	14	109.0364	0.083	15	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	109.2435	0.122	2	109.0114	0.079	14	109.0364	0.083	15	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	108.9795	0.339	4	109.0114	0.079	14	109.0364	0.083	15	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	107.9240	0.000	1	107.9240	0.000	1	107.7760	0.044	2	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	107.6280	0.000	1	107.6280	0.000	1	107.7760	0.044	2	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.6762	0.636	36	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5,6a]C[5,6a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(N[5a]C[5a,6a]C){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[5,6a]C[5,6a]C[5]){1|H<1>,3|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5]){1|Se<2>,1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.3700	0.431	2	109.3700	0.186	2	109.3700	0.186	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|N<3>,4|C<3>}	109.2595	0.455	2	109.2595	0.207	2	109.2390	0.309	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	109.2185	0.848	2	109.2185	0.719	2	109.2390	0.309	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5])	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5,5a]C){1|Se<2>,1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5]){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a,6a]2)(CCHH){1|Se<2>,1|H<1>,1|N<3>,3|C<3>}	108.9105	0.086	2	108.9105	0.007	2	108.9105	0.007	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	109.5380	0.000	1	109.5380	0.000	1	109.3964	0.831	10	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]2)2(N[5a]C[5a,6a]C){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,2|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	109.9870	0.000	1	109.9870	0.000	1	109.3964	0.831	10	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	110.4510	0.417	2	110.4510	0.174	2	109.3964	0.831	10	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	108.0280	0.000	1	108.4408	0.100	4	109.3964	0.831	10	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	108.5783	0.189	3	108.4408	0.100	4	109.3964	0.831	10	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])2{1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	109.8870	0.525	2	109.8870	0.275	2	109.3964	0.831	10	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,5a]C){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	130.3310	0.000	1	130.3310	0.000	1	130.3310	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){6|C<3>}	109.8060	0.000	1	109.8060	0.000	1	109.8060	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.0850	0.000	1	109.0850	0.000	1	109.6790	0.210	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	110.0000	0.000	1	110.0000	0.000	1	109.6790	0.210	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.5530	0.000	1	109.5530	0.000	1	109.6790	0.210	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	110.0780	0.000	1	110.0780	0.000	1	109.6790	0.210	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.5660	0.102	2	108.5660	0.010	2	108.6257	0.015	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[6a]){1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.5830	0.000	1	108.5830	0.000	1	108.6257	0.015	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.7880	0.000	1	108.7880	0.000	1	108.6257	0.015	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	106.7610	0.000	1	106.7610	0.000	1	108.0747	1.389	3	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	108.4240	0.000	1	108.4240	0.000	1	108.0747	1.389	3	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	109.0390	0.000	1	109.0390	0.000	1	108.0747	1.389	3	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	107.3380	0.605	2	107.3380	0.366	2	107.7420	0.234	5	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	108.0750	0.000	2	108.0750	0.000	2	107.7420	0.234	5	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	107.8840	0.000	1	107.8840	0.000	1	107.7420	0.234	5	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	107.8040	0.000	1	107.8040	0.000	1	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	107.8935	0.156	2	107.8935	0.024	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	107.4900	0.000	1	107.5134	0.165	18	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.4084	0.367	5	107.5134	0.165	18	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.5410	0.000	1	107.5134	0.165	18	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.4847	0.363	3	107.5134	0.165	18	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.5030	0.428	5	107.5134	0.165	18	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.4000	0.239	3	107.5134	0.165	18	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	106.7250	0.000	1	106.7250	0.000	1	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	107.3030	0.000	1	107.7590	0.208	6	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	107.5850	0.000	1	107.7590	0.208	6	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	107.3910	0.000	1	107.7590	0.208	6	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	108.0917	0.410	3	107.7590	0.208	6	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	107.6790	0.000	1	107.4697	0.176	6	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.3997	0.335	3	107.4697	0.176	6	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	107.4700	0.774	2	107.4697	0.176	6	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.5990	0.000	1	108.5990	0.000	1	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.2240	0.000	1	107.2240	0.000	1	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.6150	0.000	1	107.4010	0.092	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.1870	0.000	1	107.4010	0.092	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.9860	0.000	1	107.1397	0.141	3	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	107.5680	0.000	1	107.1397	0.141	3	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.8650	0.000	1	107.1397	0.141	3	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.4600	0.000	1	107.6310	0.058	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	107.8020	0.000	1	107.6310	0.058	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	107.7580	0.000	1	107.7580	0.000	1	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Cl<1>,1|H<1>,2|C<3>}	107.6020	0.000	1	107.6020	0.000	1	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	107.8760	0.000	1	108.0825	0.085	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.2890	0.000	1	108.0825	0.085	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO){2|C<3>,2|H<1>}	107.4380	0.000	1	107.4380	0.000	1	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	107.9435	0.504	2	107.9435	0.254	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	107.6505	0.515	2	107.6753	0.135	3	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	107.7250	0.000	1	107.6753	0.135	3	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	108.2770	0.000	1	108.2625	0.000	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	108.2480	0.000	1	108.2625	0.000	2	107.6116	0.197	55	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.8690	0.000	1	106.8690	0.000	1	107.3713	0.743	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	106.4740	0.000	1	106.4740	0.000	1	107.3713	0.743	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	108.0710	0.437	2	108.0710	0.191	2	107.3713	0.743	4	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.0310	0.000	1	108.0310	0.000	1	108.4093	0.134	3	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.5985	0.233	2	108.5985	0.054	2	108.4093	0.134	3	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	107.6835	0.224	2	107.6835	0.050	2	107.6835	0.050	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|Si<4>,1|H<1>,4|C<3>}	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|S<4>,2|C<4>,3|C<3>}	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	107.9130	0.000	1	107.9130	0.000	1	108.3375	0.360	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	108.7620	0.000	1	108.7620	0.000	1	108.3375	0.360	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	109.7580	0.000	1	109.7580	0.000	1	110.2000	0.391	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	110.6420	0.000	1	110.6420	0.000	1	110.2000	0.391	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[4]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	107.8350	0.000	1	107.8350	0.000	1	108.4847	0.553	9	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.6220	0.000	1	108.2215	0.321	2	108.4847	0.553	9	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.8210	0.000	1	108.2215	0.321	2	108.4847	0.553	9	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	108.2600	0.000	1	108.2600	0.000	1	108.4847	0.553	9	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	109.5660	0.000	1	109.5660	0.000	1	108.4847	0.553	9	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO){1|H<1>,1|O<2>,5|C<3>}	108.5645	0.875	4	108.5645	0.766	4	108.4847	0.553	9	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[5,6a]C[5,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[5,6a]C[5,6a]2){1|Se<2>,1|Si<4>,1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	109.6195	0.346	2	109.6195	0.120	2	109.6195	0.120	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)2{1|Si<4>,1|C<4>,1|S<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	109.5595	0.316	2	109.5595	0.100	2	109.5595	0.100	2	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	109.3650	0.110	2	109.3650	0.012	2	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){6|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	110.2740	0.000	1	110.2740	0.000	1	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	109.7220	0.000	1	109.7220	0.000	1	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	110.1610	0.000	1	110.1610	0.000	1	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	109.3660	0.000	1	109.5067	0.042	4	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	109.5537	0.223	3	109.5067	0.042	4	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	110.5150	0.000	1	110.5150	0.000	1	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	109.4695	0.125	2	109.8766	0.193	5	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	110.3235	0.139	2	109.8766	0.193	5	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	109.7970	0.000	1	109.8766	0.193	5	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si){1|Si<4>,1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	108.7000	0.000	1	108.7000	0.000	1	109.7091	0.229	17	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|C<4>,1|H<1>,4|C<3>}	109.6380	0.000	1	109.6380	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	109.8100	0.000	1	109.8100	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	109.4170	0.000	1	109.4170	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	110.2940	0.000	1	109.7910	0.224	4	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.7530	0.000	1	109.7910	0.224	4	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.1660	0.000	1	109.7910	0.224	4	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	109.9510	0.000	1	109.7910	0.224	4	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|C<4>,1|H<1>,4|C<3>}	110.1550	0.000	1	110.1550	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.8060	0.000	1	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.3120	0.310	2	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	110.1370	0.000	1	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.7167	0.188	3	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.4413	0.380	6	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.8420	0.000	1	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	110.6810	0.000	1	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	108.3010	0.000	1	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.5010	0.083	4	108.7097	0.418	20	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.2753	0.449	3	108.4072	0.170	6	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	108.5390	0.412	3	108.4072	0.170	6	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|H<1>,1|N<2>,4|C<3>}	109.4070	0.000	1	109.4070	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	109.8680	0.000	1	109.8680	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	108.9060	0.000	1	108.9060	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	110.4600	0.000	1	110.4600	0.000	1	108.9858	0.578	38	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H){1|H<1>,1|N<2>,1|N<3>,3|C<4>,4|C<3>}	111.3210	0.000	1	111.3210	0.000	1	111.3210	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	112.7660	0.000	1	112.7660	0.000	1	112.9223	0.031	3	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH){1|C<4>,1|H<1>,2|C<3>}	113.0005	0.156	2	113.0005	0.024	2	112.9223	0.031	3	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]C[5a,6a]2){1|C<4>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	107.1990	0.000	1	107.1990	0.000	1	107.8424	0.833	5	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,5|C<3>}	107.1740	0.132	2	108.0033	0.938	4	107.8424	0.833	5	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,5|C<3>}	108.8325	0.217	2	108.0033	0.938	4	107.8424	0.833	5	108.7474	3.859	187	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:B[5a]-4:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP){1|C<4>,1|H<1>,2|C<3>}	108.7310	0.776	2	108.7310	0.603	2	108.7310	0.603	2	108.7310	0.603	2	108.7320	3.241	248	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a,6a]	C[5a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5,5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5,5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:S[5]-2:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H)	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5])	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5a]N[5a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<4>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){2|S<2>}	106.5995	0.088	4	106.5995	0.008	4	106.5995	0.008	4	106.5995	0.008	4	106.5995	0.008	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6]	N[5,5a]	3:3:1:	3:3:4:	3:3:4:	C[5a,6]-3:N[5,5a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	N[5,5a]-3:C[5a]-3:S[5]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]S[5])(O)	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(S[5]N[5]OO)	C[5a](C[5a,6]C[5a,6]C[6])(N[5,5a]N[5,5a]S[5])(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[5,5a](N[5,5a]C[5a,6]C[5])(C[5a]C[5a,6]O)(S[5]N[5]OO){1|N<3>,2|C<4>}	105.6550	0.000	1	105.6550	0.000	1	105.6550	0.000	1	105.6550	0.000	1	105.6550	0.000	1	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[6a]N[5a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(N[6]C[6]C)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[6a]N[5a])(O){3|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	103.6780	0.000	1	103.6780	0.000	1	103.6780	0.000	1	103.6780	0.000	1	107.4410	11.129	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	110.0360	0.000	1	109.3225	1.018	2	109.3225	1.018	2	109.3225	1.018	2	107.4410	11.129	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	108.6090	0.000	1	109.3225	1.018	2	109.3225	1.018	2	109.3225	1.018	2	107.4410	11.129	3	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a]N)(O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS){2|C<3>}	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	106.3742	0.293	5	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]N)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	105.7965	0.128	2	105.7965	0.016	2	105.7965	0.016	2	105.7965	0.016	2	106.3742	0.293	5	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO){1|H<1>,3|C<3>}	106.6020	0.000	1	106.6020	0.000	1	106.6955	0.017	2	106.6955	0.017	2	106.3742	0.293	5	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C-3:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]S)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]S){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO){1|H<1>,3|C<3>}	106.7890	0.000	1	106.7890	0.000	1	106.6955	0.017	2	106.6955	0.017	2	106.3742	0.293	5	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5,5a]	3:3:1:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(O){1|C<4>,3|C<3>}	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H){2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O){1|Cr<6>,1|C<4>,2|C<3>,2|H<1>}	103.0970	0.000	1	103.0970	0.000	1	103.0970	0.000	1	103.0970	0.000	1	105.6395	12.929	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5,5a]	3:3:4:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H)	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]N[5,5a]C)(C[5a]N[5,5a]O)(H){2|C<3>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C){1|Cr<6>,1|O<1>,2|C<3>,2|H<1>}	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	105.6395	12.929	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(H){2|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	105.0460	0.000	1	105.0460	0.000	1	105.0460	0.000	1	105.0460	0.000	1	106.5310	4.410	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:N-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)(NNiH)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]C)(C[5a]N[5a,5a]N)	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)(NNiH){1|C<2>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]C)(C[5a]N[5a,5a]N){1|Ni<4>,1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|C<3>,2|H<1>}	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	106.5310	4.410	2	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	107.2062	6.244	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(H){2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	109.1320	0.000	1	107.2062	6.244	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	104.3600	0.000	1	104.3600	0.000	1	104.3600	0.000	1	104.3600	0.000	1	107.2062	6.244	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a](N[5a,6]C[5a,6]P[6])(C[5a]C[5a]N[5a])(C[5a]C[5a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(H){1|N<3>,1|P<4>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	105.8640	0.000	1	105.8640	0.000	1	105.8640	0.000	1	105.8640	0.000	1	107.2062	6.244	4	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(O){1|N<3>,1|S<4>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(H){1|H<1>,1|N<3>}	108.0513	1.093	3	108.0513	1.194	3	108.0513	1.194	3	108.0513	1.194	3	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	109.6595	0.064	2	109.6595	0.004	2	109.6595	0.004	2	107.9065	4.555	8	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	107.9065	4.555	8	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H){1|B<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	107.9065	4.555	8	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|C<3>}	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	107.9065	4.555	8	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	105.3787	0.674	3	105.3787	0.455	3	105.3787	0.455	3	107.9065	4.555	8	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	112.3855	0.709	2	112.3855	0.503	2	112.3855	0.503	2	110.1968	4.471	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd){2|H<1>}	108.4770	0.000	1	108.4770	0.000	1	108.5395	0.008	2	110.1968	4.471	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh){2|H<1>}	108.6020	0.000	1	108.6020	0.000	1	108.5395	0.008	2	110.1968	4.471	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(O){1|N<3>,1|S<4>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)(CCHH){1|H<1>,1|N<3>}	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	110.1968	4.471	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C){1|H<1>,2|C<3>}	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	110.1968	4.471	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:1:	4:3:2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]O)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5a](C[5a]N[5a]H)(C[5a]O[5a]O)(H){1|C<4>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	111.4290	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(N[5a]S[5a]H)(O)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(N[5a]S[5a]H)(O){1|N<3>}	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|H<1>}	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|C<2>,1|N<3>}	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.8049	0.466	60	104.8049	0.217	60	104.8049	0.217	60	104.8049	0.217	60	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:O-1:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(O){1|N<2>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	103.2810	0.000	1	103.2810	0.000	1	103.2810	0.000	1	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C){4|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	105.0700	0.000	1	105.0700	0.000	1	105.1143	0.038	3	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	104.9460	0.000	1	104.9460	0.000	1	105.1143	0.038	3	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CNO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	105.3270	0.000	1	105.3270	0.000	1	105.1143	0.038	3	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.3330	0.000	1	105.3330	0.000	1	104.7497	0.319	18	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.8068	0.625	12	104.8068	0.391	12	104.7497	0.319	18	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[6]H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[6]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.3860	0.000	1	104.3860	0.000	1	104.7497	0.319	18	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.3923	0.314	3	104.3923	0.099	3	104.7497	0.319	18	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.9160	0.000	1	104.9160	0.000	1	104.7497	0.319	18	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	N[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O)	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(O){3|C<3>,3|C<4>}	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.4200	0.000	1	105.4200	0.000	1	105.4200	0.000	1	104.7910	0.389	24	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.9480	0.000	1	109.9480	0.000	1	109.9310	0.001	2	109.4990	0.560	3	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6]H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	109.9140	0.000	1	109.9140	0.000	1	109.9310	0.001	2	109.4990	0.560	3	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C[3])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	109.4990	0.560	3	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	108.7955	4.337	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){2|C<4>}	107.3230	0.000	1	107.3230	0.000	1	107.3230	0.000	1	108.7955	4.337	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	105.6540	0.000	1	105.6540	0.000	1	105.8932	0.157	6	105.6351	0.597	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	105.7715	0.325	2	105.7715	0.105	2	105.8932	0.157	6	105.6351	0.597	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]CH){2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	105.4680	0.000	1	105.4680	0.000	1	105.8932	0.157	6	105.6351	0.597	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	106.3470	0.000	2	106.3470	0.000	2	105.8932	0.157	6	105.6351	0.597	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[5a]-3:N-4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NRuHH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NRuHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	104.0870	0.000	1	104.0870	0.000	1	104.0870	0.000	1	105.6351	0.597	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.2260	0.000	1	110.2260	0.000	1	110.2310	0.074	4	110.2193	0.109	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]CC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.8660	0.000	1	109.8660	0.000	1	110.2310	0.074	4	110.2193	0.109	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.4160	0.144	2	110.4160	0.021	2	110.2310	0.074	4	110.2193	0.109	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.7960	0.000	1	109.7960	0.000	1	110.1960	0.320	2	110.2193	0.109	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O){1|O<2>,1|S<4>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.5960	0.000	1	110.5960	0.000	1	110.1960	0.320	2	110.2193	0.109	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	111.3310	0.000	1	111.3310	0.000	1	111.3310	0.000	1	110.2215	0.529	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4]C[4,5]C[4]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	110.2215	0.529	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5]H)(C[5a]N[5a]H){1|C<2>,1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.8990	0.000	1	109.8990	0.000	1	110.2750	0.283	2	110.2215	0.529	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.6510	0.000	1	110.6510	0.000	1	110.2750	0.283	2	110.2215	0.529	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	110.2215	0.529	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:1:	3:4:3:	3:3:4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[3]-4:C[5a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[3])(N[5a]C[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	C[5a](C[5a]C[5a]C[3])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(C[3]C[6a]C[3]2)(C[5a]N[5a]H){1|S<4>,4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	110.2215	0.529	6	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(H){2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:N-2:	C[5a,5a]-3:C[5a]-3:N-3:	C[5a,5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6])	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NC[6]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H)	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NC[6]H){2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,3|N<3>,4|H<1>}	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	108.9820	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:2:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(SC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(SC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2){1|C<3>,4|C<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){1|C<3>,5|C<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a]){2|C<2>,3|C<3>}	101.0170	0.000	1	101.0170	0.000	1	101.0170	0.000	1	101.0170	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	108.4455	7.593	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC[6a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC[6a]H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(H){1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	108.4455	7.593	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	106.2827	0.370	7	106.2827	0.137	7	106.3749	0.263	21	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	106.3742	0.574	13	106.3742	0.329	13	106.3749	0.263	21	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.0280	0.000	1	107.0280	0.000	1	106.3749	0.263	21	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,2|H<1>}	107.1849	0.482	7	107.1849	0.233	7	107.1849	0.233	7	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.2455	0.408	2	105.2455	0.166	2	105.2100	0.087	3	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.1390	0.000	1	105.1390	0.000	1	105.2100	0.087	3	106.6019	0.969	33	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P)	C[5a](C[5a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P){2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])2(H){1|P<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,1|O<1>,2|C<3>}	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	109.4080	2.004	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){1|H<1>,5|C<3>}	107.5730	0.000	1	107.5730	0.000	1	108.2780	0.994	2	109.4080	2.004	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	108.9830	0.000	1	108.9830	0.000	1	108.2780	0.994	2	109.4080	2.004	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CCC){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	109.4080	2.004	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	109.4080	2.004	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]S)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]S)(CHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Cl){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Cl<1>,1|H<1>,2|C<3>}	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2){1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|P<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	108.9085	0.456	2	108.9085	0.208	2	108.9085	0.208	2	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(NOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(NOO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO){2|C<3>,2|H<1>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH){1|C<4>,1|O<1>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|O<1>}	110.2080	0.000	1	110.2080	0.000	1	109.4710	0.583	4	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NHH){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|O<1>}	109.2253	0.716	3	109.2253	0.512	3	109.4710	0.583	4	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	107.6350	0.000	1	107.6350	0.000	1	107.6350	0.000	1	109.1291	1.781	11	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]S)(NHH)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]S)(NHH){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(SC[6a]){1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|S<2>}	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	106.6890	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(CC[5a]H){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|O<2>}	107.1875	0.756	2	107.1875	0.571	2	107.1875	0.571	2	107.1875	0.571	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	105.5170	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	108.4489	0.450	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,5|C<3>}	108.9685	0.155	2	108.9685	0.024	2	108.9685	0.024	2	108.4489	0.450	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(OC){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	107.2320	0.000	1	107.2320	0.000	1	107.2320	0.000	1	108.4489	0.450	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	108.6740	0.337	2	108.6740	0.113	2	108.6740	0.113	2	108.4489	0.450	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	N[5a]-3:C[5a]-3:C[4]-3:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a](N[5a]C[5a,6a]C[4])(C[5a]C[5a,6a]N)(C[4]C[4]N[4])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(NC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H)	C[5a](N[5a]C[5a,6a]C[4])(C[5a]C[5a,6a]N)(C[4]C[4]N[4]){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(NC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H){1|H<1>,1|N<2>,1|N<3>,3|C<4>,4|C<3>}	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	108.4489	0.450	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|O<1>,3|C<3>}	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	107.9005	13.102	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(COO){1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	107.9005	13.102	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	108.3490	0.000	1	108.3490	0.000	1	108.3490	0.000	1	109.4027	1.567	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC){1|O<1>,5|C<3>}	110.4850	0.123	2	110.4850	0.015	2	110.4850	0.015	2	109.4027	1.567	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	109.4027	1.567	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.5933	0.133	3	108.5933	0.018	3	108.5933	0.018	3	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CCH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCH){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	108.9620	0.208	2	108.9620	0.043	2	108.8160	0.064	4	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	108.6700	0.250	2	108.6700	0.063	2	108.8160	0.064	4	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,1|S<4>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	108.3370	0.000	1	108.3370	0.000	1	108.3370	0.000	1	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	108.5485	0.790	2	108.5485	0.624	2	108.5485	0.624	2	108.8720	0.329	14	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[6a]2H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|O<1>,2|C<3>}	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	108.5100	0.638	2	108.5100	0.407	2	108.5100	0.407	2	108.8637	0.579	3	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CCO){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	108.8637	0.579	3	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.3324	0.366	10	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.7910	0.000	1	109.7910	0.000	1	109.4674	0.446	5	109.3324	0.366	10	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.2960	0.000	1	108.2960	0.000	1	109.4674	0.446	5	109.3324	0.366	10	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.5500	0.000	1	109.5500	0.000	1	109.4674	0.446	5	109.3324	0.366	10	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.8500	0.085	2	109.8500	0.007	2	109.4674	0.446	5	109.3324	0.366	10	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,5|C<3>}	109.0860	0.762	2	109.0860	0.581	2	109.0860	0.581	2	109.3324	0.366	10	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	109.0775	0.695	2	109.0775	0.483	2	109.0775	0.483	2	109.3324	0.366	10	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:2:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)2(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	C[5a](C[5a]N[5a]C)2(H){1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	105.6110	0.663	2	105.6110	0.440	2	105.6110	0.440	2	105.6110	0.440	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	108.2940	0.000	1	108.2940	0.000	1	107.1285	2.717	2	108.3252	2.853	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN[5]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)2(H){2|H<1>}	105.9630	0.000	1	105.9630	0.000	1	107.1285	2.717	2	108.3252	2.853	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	109.5220	0.335	2	109.5220	0.112	2	109.5220	0.112	2	108.3252	2.853	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	107.4320	0.000	1	107.4320	0.000	1	107.4850	0.006	2	108.6491	1.591	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]S)(CHHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(Br){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	107.5380	0.000	1	107.5380	0.000	1	107.4850	0.006	2	108.6491	1.591	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHS)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CCHS){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	108.6491	1.591	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(H){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	109.8643	0.812	3	109.8643	0.659	3	109.8643	0.659	3	108.6491	1.591	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:1:	3:3:4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	108.6491	1.591	7	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:O-2:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CCHH){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,1|O<2>,2|C<3>}	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	110.2247	0.383	56	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	108.6210	0.000	1	108.6210	0.000	1	108.5535	0.009	2	110.2247	0.383	56	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	108.4860	0.000	1	108.4860	0.000	1	108.5535	0.009	2	110.2247	0.383	56	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:2:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-2:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	110.3226	0.471	53	110.3226	0.222	53	110.3226	0.222	53	110.2247	0.383	56	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.3765	0.408	2	109.3765	0.166	2	109.3765	0.166	2	109.5034	0.164	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	110.1210	0.000	1	110.1210	0.000	1	109.5880	0.217	3	109.5034	0.164	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	109.3215	0.088	2	109.3215	0.008	2	109.5880	0.217	3	109.5034	0.164	5	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	109.2920	0.000	1	109.2920	0.000	1	108.5787	0.238	4	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.2000	0.000	1	108.2000	0.000	1	108.5787	0.238	4	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CClC){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.4650	0.000	1	108.4650	0.000	1	108.5787	0.238	4	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(COO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	108.3580	0.000	1	108.3580	0.000	1	108.5787	0.238	4	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CFHH){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|O<1>,3|C<3>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.7560	0.000	1	109.7560	0.000	1	109.7660	0.324	23	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.6282	0.564	15	109.6282	0.319	15	109.7660	0.324	23	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[6]H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NC[6]H){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.9150	0.000	1	109.9150	0.000	1	109.7660	0.324	23	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCuC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	110.0580	0.482	4	110.0580	0.232	4	109.7660	0.324	23	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHH){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	110.8660	0.000	1	110.8660	0.000	1	109.7660	0.324	23	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NHS){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	109.4270	0.000	1	109.4270	0.000	1	109.7660	0.324	23	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(CH3){1|N<2>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<3>,1|O<1>,2|C<3>}	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	109.5441	0.537	31	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CCHH){2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	109.5145	0.036	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]O)(CH3){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H){1|H<1>,1|O<1>,3|C<4>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.5145	0.036	2	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CH3){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|O<1>,2|C<3>}	109.0120	0.000	2	109.0120	0.000	2	109.0120	0.000	2	107.7400	2.189	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)2(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(CH3){1|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)2(N[5]C[5]2){1|H<1>,2|C<3>,4|C<4>}	106.4680	0.307	2	106.4680	0.094	2	106.4680	0.094	2	107.7400	2.189	4	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]HH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.4310	0.000	1	108.4310	0.000	1	108.5972	0.027	5	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CClHH){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.7970	0.000	1	108.7970	0.000	1	108.5972	0.027	5	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.6270	0.000	1	108.6270	0.000	1	108.5972	0.027	5	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.4290	0.000	1	108.4290	0.000	1	108.5972	0.027	5	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHHN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	108.7020	0.000	1	108.7020	0.000	1	108.5972	0.027	5	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]CC){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	110.6780	0.000	1	110.6780	0.000	1	110.9010	0.133	3	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[5a]HH){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|O<1>,2|C<3>}	111.0125	0.438	2	111.0125	0.192	2	110.9010	0.133	3	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-4:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NH3){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	108.1330	0.000	1	108.1330	0.000	1	109.1595	2.107	2	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[5a]-3:N-4:	N[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NRuHH)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NRuHH){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){1|N<4>,1|O<1>,2|C<3>}	110.1860	0.000	1	110.1860	0.000	1	109.1595	2.107	2	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	5:SP2_SP2_SP3	C[5a]	C[5a]	N[5a]	3:3:4:	3:3:4:	3:3:4:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Rh)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(PC[5a]2Rh){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	110.7950	0.000	2	110.7950	0.000	2	110.7950	0.000	2	109.5034	1.537	13	107.9267	5.322	356	108.2974	6.122	694
727	727	813	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:3:	N[5,6a]-3:C[5,6a]-3:S[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(S[5]C[5,6a])	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(S[5]C[5,6a]){1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]S[5])(C[5,6a]C[6a]O[5])(C[5]C[5]C){1|C<2>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	119.3330	6.683	2	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5,6a]	3:3:4:	3:3:4:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	117.5050	0.000	1	117.5050	0.000	1	117.5050	0.000	1	117.5050	0.000	1	119.3330	6.683	2	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	117.9535	0.305	2	118.2883	0.138	6	118.1559	0.159	8	118.1559	0.159	8	118.1559	0.159	8	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	118.2490	0.000	1	118.2883	0.138	6	118.1559	0.159	8	118.1559	0.159	8	118.1559	0.159	8	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	118.5247	0.318	3	118.2883	0.138	6	118.1559	0.159	8	118.1559	0.159	8	118.1559	0.159	8	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	117.7860	0.000	1	117.7860	0.000	1	118.1559	0.159	8	118.1559	0.159	8	118.1559	0.159	8	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5,6a]	C[5,6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.7310	0.000	1	117.7310	0.000	1	118.1559	0.159	8	118.1559	0.159	8	118.1559	0.159	8	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[5,6,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5a,6a]-3:C[5a,6]-3:	C[5a,6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5])	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,6|C<3>}	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a])	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H){1|F<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]C[5a])(C[5a,6]C[5a]O[6])(S[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a,6,6](C[5a,6]C[5a,6]C[5a])(B[6,6]N[5a,6]O[6]F)(C[5a,6]C[5a]N[6]){1|H<1>,1|S<2>,4|C<3>}	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,1|S<2>,4|C<3>}	115.9440	0.000	1	115.9440	0.000	1	115.9780	0.002	2	115.9780	0.002	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){6|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|S<2>,6|C<3>}	116.0120	0.000	1	116.0120	0.000	1	115.9780	0.002	2	115.9780	0.002	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	117.8698	0.292	5	117.8698	0.085	5	117.8698	0.085	5	117.8698	0.085	5	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:3:	3:3:2:	N[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|O<2>,2|N<3>}	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	118.2070	0.000	1	118.2070	0.000	1	118.4555	0.124	2	118.4555	0.124	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	118.7040	0.000	1	118.7040	0.000	1	118.4555	0.124	2	118.4555	0.124	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]Cl)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>}	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	118.1185	0.073	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	118.1185	0.073	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	116.8590	0.146	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	116.8590	0.146	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	117.2765	0.237	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	117.2765	0.237	2	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S){2|H<1>,3|C<3>}	104.6460	0.000	1	104.6460	0.000	1	104.6460	0.000	1	104.6460	0.000	1	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	115.4897	0.484	3	115.4897	0.234	3	115.4897	0.234	3	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	115.4590	0.000	1	115.4590	0.000	1	115.3312	0.786	4	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,4|C<3>}	115.7540	0.000	1	115.7540	0.000	1	115.3312	0.786	4	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N)(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	114.0530	0.000	1	114.0530	0.000	1	115.3312	0.786	4	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	116.0590	0.000	1	116.0590	0.000	1	115.3312	0.786	4	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]H){1|B<4>,1|N<2>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	120.4566	0.472	7	120.4566	0.223	7	120.8516	0.596	10	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]Pd)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]N){1|Pd<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]Pd){1|B<4>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	121.7733	0.438	3	121.7733	0.192	3	120.8516	0.596	10	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	118.4727	8.007	18	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.2210	0.000	1	117.2210	0.000	1	116.8963	0.254	3	116.8963	0.254	3	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N)	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a,6]C[5a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|H<1>,3|N<3>}	116.7340	0.591	2	116.7340	0.349	2	116.8963	0.254	3	116.8963	0.254	3	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H)	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]N[5a,6]C[5a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H){1|S<4>,2|N<3>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	124.8180	0.000	1	124.8180	0.000	1	124.8180	0.000	1	124.8180	0.000	1	117.8110	9.831	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a])	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5,6a]C[5a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	114.4585	0.179	2	114.4585	0.032	2	114.0907	0.258	4	116.2834	7.729	7	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	113.7230	0.448	2	113.7230	0.201	2	114.0907	0.258	4	116.2834	7.729	7	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a]){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|N<2>}	118.9760	0.000	1	118.9760	0.000	1	118.8655	0.024	2	116.2834	7.729	7	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[6,6a]C[5a])(N[5a]N[5a]){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	118.7550	0.000	1	118.7550	0.000	1	118.8655	0.024	2	116.2834	7.729	7	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(S[5a]C[5a]){3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]S[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	119.8900	0.000	1	119.8900	0.000	1	119.8900	0.000	1	116.2834	7.729	7	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){3|C<3>}	115.8710	0.000	1	115.8710	0.000	1	115.8710	0.000	1	115.5064	0.794	11	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|N<3>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	115.5064	0.794	11	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	115.1687	0.230	3	115.1687	0.053	3	115.6113	0.749	9	115.5064	0.794	11	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]N[5a]S){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>}	113.8790	0.000	1	113.8790	0.000	1	115.6113	0.749	9	115.5064	0.794	11	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a]){2|C<3>}	116.3670	0.383	2	116.3670	0.147	2	115.6113	0.749	9	115.5064	0.794	11	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	116.1277	0.322	3	116.1277	0.104	3	115.6113	0.749	9	115.5064	0.794	11	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	115.2850	0.078	2	115.2850	0.006	2	115.2850	0.006	2	116.9017	2.280	6	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>}	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	116.9017	2.280	6	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	118.6520	0.045	2	118.6520	0.002	2	118.6520	0.002	2	116.9017	2.280	6	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]C[6a]O[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[5a,6a]C[6a]O[5a]){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	116.7910	0.000	1	116.7910	0.000	1	116.7910	0.000	1	116.9017	2.280	6	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	115.8705	0.252	2	115.8705	0.064	2	115.8705	0.064	2	115.8705	0.064	2	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.8865	0.107	2	118.8865	0.011	2	118.8865	0.011	2	117.6832	1.384	6	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	116.3035	0.375	2	116.3035	0.141	2	116.3035	0.141	2	117.6832	1.384	6	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]N[6a])(C[5a]N[5a]C){1|Ni<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Ni<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.8595	0.066	2	117.8595	0.004	2	117.8595	0.004	2	117.6832	1.384	6	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N){1|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]N[5a]N[6a])(C[5a]C[5a]N){1|C<3>,2|N<2>,2|N<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,3|N<3>}	113.4590	1.123	2	113.4590	1.261	2	113.4590	1.261	2	113.4590	1.261	2	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	118.4580	0.000	1	118.4580	0.000	1	118.4580	0.000	1	119.3500	3.197	5	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.7800	0.000	1	116.7800	0.000	1	116.7800	0.000	1	119.3500	3.197	5	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	119.3500	3.197	5	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	120.9535	0.424	2	120.9535	0.179	2	120.9535	0.179	2	119.3500	3.197	5	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP2	C[5a,6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	116.5863	4.286	40	117.3497	6.763	93
727	727	813	6:SP2_SP2_SP3	C[5a,6]	C[5a,6]	N[5a,6]	3:3:3:	3:4:2:	3:3:3:	N[5a,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6]-4:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O)	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[6,6]C[5a])(C[5a]N[5a]O){1|C<3>,1|H<1>,1|O<1>,2|N<2>,3|C<4>}	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1